Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.38 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL1693886 | 0.94 | CYP3A4 (0.40) | CYP3A4TSHRNFKB1NPSR1THRB | |
| SCHEMBL6556127 | 0.85 | CA1 (0.42) | CYP3A4TSHRNFKB1NPSR1CA1 | |
| SCHEMBL5862198 | 0.82 | CYP3A4 (0.36) | CYP3A4TSHRNFKB1NPSR1THRB | |
| SCHEMBL5859167 | 0.82 | CYP3A4 (0.36) | CYP3A4TSHRNFKB1NPSR1THRB | |
| SCHEMBL28169945 | 0.79 | — | — | |
| SCHEMBL11493438 | 0.79 | CA1 (0.45) | CYP3A4TSHRNFKB1NPSR1CA1 | |
| SCHEMBL28479567 | 0.74 | CA1 (0.42) | CYP3A4TSHRNFKB1NPSR1CA1 | |
| SCHEMBL16843395 | 0.73 | THRB (0.44) | TSHRTHRBFFAR3LMNAALDH1A1 | |
| SCHEMBL18282491 | 0.72 | CA2 (0.48) | CYP3A4TSHRNFKB1NPSR1THRB | |
| SCHEMBL1819079 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8497337-B2 | Process for producing water-absorbing polymer particles with improved color stability | BASF SE (DE) | 2013-07-30 | — | — | US | claimed |
| US-11566003-B2 | Isoquinolines as inhibitors of HPK1 | GENENTECH, INC. (US) | 2023-01-31 | — | — | US | disclosed |
| EP-2828305-B1 | PARTICULATE SUPERABSORBENT COPOLYMER | EVONIK SUPERABSORBER LLC (US) | 2022-05-04 | — | — | EP | disclosed |
| EP-3601259-B1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | HOFFMANN LA ROCHE (CH) | 2022-02-23 | — | — | EP | disclosed |
| US-20210163417-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2021-06-03 | — | — | US | disclosed |
| EP-3601259-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | H. Hoffnabb-La Roche Ag (CH) | 2020-02-05 | — | — | EP | disclosed |
| EP-2816038-B1 | HOPO CHELATORS | LUMIPHORE INC (US) | 2019-11-20 | — | — | EP | disclosed |
| US-10352938-B2 | Macrocyclic HOPO chelators | LUMIPHORE, INC. (US) | 2019-07-16 | — | — | US | disclosed |
| US-20180282282-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2018-10-04 | — | — | US | disclosed |
| WO-2018183964-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2018-10-04 | — | — | WO | disclosed |
| WO-2003016923-A2 | HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2003-02-27 | — | — | WO | disclosed |
| EP-1270549-A1 | POLYMER-IMMOBILIZED ALPHA-IMINOESTER | Japan Science and Technology Corporation (JP) | 2003-01-02 | — | — | EP | disclosed |
| EP-0317188-B1 | Heteroaromatic enamide derivatives and their use as pesticides | ROUSSEL UCLAF (FR) | 1995-09-27 | — | — | EP | disclosed |
| US-5114940-A | Insecticides or anthelmintics from fused ring heterocycles containing amides or thioamides | ROUSSEL-UCLAF (FR) | 1992-05-19 | — | — | US | disclosed |
| EP-0317188-A2 | Heteroaromatic enamide derivatives and their use as pesticides | ROUSSEL UCLAF (FR) | 1989-05-24 | — | — | EP | disclosed |
| US-4822800-A | Isoquinolinol compounds having cardiotonic and phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-04-18 | — | — | US | disclosed |
| US-4225589-A | ANTITUMOR | RHONE-POULENC INDUSTRIES (FR) | 1980-09-30 | — | — | US | disclosed |
| US-4144339-A | TREATMENT OF BILHARZIASIS | RHONE-POULENC INDUSTRIES (FR) | 1979-03-13 | — | — | US | disclosed |
| US-4138487-A | NEMATOCIDES | RHONE-POULENC INDUSTRIES (FR) | 1979-02-06 | — | — | US | disclosed |
| US-4110450-A | BILHARZIASIS | RHONE-POULENC INDUSTRIES (FR) | 1978-08-29 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20180282282-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | HIPK1, HPGDS, IP6K1 | THRB 4563/4885CA1 4758/4885CA2 4673/4885 |
| US-11566003-B2 | Isoquinolines as inhibitors of HPK1 | HIPK1, HIPK2, IP6K1 | THRB 4420/4885CA1 4788/4885CA2 4718/4885 |
| US-20210163417-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | HIPK1, HIPK2, IP6K1 | THRB 4420/4885CA1 4788/4885CA2 4718/4885 |
| US-10352938-B2 | Macrocyclic HOPO chelators | PHPT1, SSB, CD69 | THRB 2676/4885CA1 397/4885CA2 367/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.