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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.46 |
| ▸ | RORC | P51449 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | RORA | P35398 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | RORB | Q92753 | 1/20 | 0.40 |
| ▸ | GLP1R | P43220 | 1/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10858807 | 0.86 | MAPT (0.39) | CA2 | |
| SCHEMBL27614118 | 0.82 | ENPP2 (0.50) | ENPP2PTGS2RORCNR1H4NR1I2 | |
| SCHEMBL4949390 | 0.82 | ENPP2 (0.50) | ENPP2PTGS2RORCNR1H4NR1I2 | |
| SCHEMBL4680122 | 0.80 | KMT2A (0.47) | CA2 | |
| SCHEMBL4949383 | 0.78 | ENPP2 (0.46) | ENPP2PTGS2RORCNR1H4NR1I2 | |
| SCHEMBL6178949 | 0.78 | ENPP2 (0.46) | ENPP2PTGS2RORCNR1H4NR1I2 | |
| SCHEMBL2652094 | 0.78 | ENPP2 (0.52) | ENPP2PTGS2RORCNR1H4NR1I2 | |
| SCHEMBL1500953 | 0.78 | ENPP2 (0.46) | ENPP2PTGS2RORCNR1H4NR1I2 | |
| SCHEMBL5001130 | 0.77 | ENPP2 (0.50) | ENPP2PTGS2RORCNR1H4NR1I2 | |
| SCHEMBL13231429 | 0.77 | ENPP2 (0.54) | ENPP2PTGS2CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220204498-A1 | PYRIDO-PYRIMIDINYL COMPOUNDS AND METHODS OF USE | GENENTECH, INC. | 2022-06-30 | — | — | US | disclosed |
| US-7396846-B2 | Growth hormone secretagogues | ELI LILLY AND COMPANY (US) | 2008-07-08 | — | — | US | disclosed |
| EP-1497316-B1 | GROWTH HORMONE SECRETAGOGUES | LILLY CO ELI (US) | 2006-07-05 | — | — | EP | disclosed |
| US-20050240001-A1 | 2-(2-Amino-2-methylpropionylamino)-3-(2,6-difluoro-3-methylphenyl)methoxy propionic acid N-[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydroisothiazol-4-ylmethyl]-N-ethylamide; endogenous human growth hormone controller; non-peptidyl in nature, more metabolically stable | ELI LILLY AND COMPANY (US) | 2005-10-27 | — | — | US | disclosed |
| EP-1497316-A2 | GROWTH HORMONE SECRETAGOGUES | ELI LILLY AND COMPANY (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003087070-A2 | GROWTH HORMONE SECRETAGOGUES | ELI LILLY AND COMPANY (US) | 2003-10-23 | — | — | WO | 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 (1 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-20220204498-A1 | PYRIDO-PYRIMIDINYL COMPOUNDS AND METHODS OF USE | XBP1, HSPA5, ERN2 | PTGS2 2983/4885CA2 4635/4885ENPP2 1223/4885 |
“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.