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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16220978 | 0.81 | ALDH1A1 (0.40) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL16212146 | 0.80 | ALDH1A1 (0.40) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL6917068 | 0.77 | MAPT (0.44) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL1458362 | 0.74 | RIPK2 (0.41) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL16212301 | 0.73 | PDE10A (0.47) | — | |
| SCHEMBL16211812 | 0.73 | RAB9A (0.49) | ALDH1A1KDM4ELMNASMN1; SMN2TP53 | |
| SCHEMBL2099625 | 0.73 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL6608600 | 0.73 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL6605048 | 0.72 | HTT (0.55) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL3724833 | 0.72 | HTT (0.49) | ALDH1A1MAPTHTTLMNASMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2991984-B1 | PALLADIUM-CATALYZED COUPLING OF PYRAZOLE AMIDES | HOFFMANN LA ROCHE (CH) | 2017-03-08 | — | — | EP | disclosed |
| US-9505759-B2 | Pd-catalyzed coupling of pyrazole amides | HOFFMANN-LA ROCHE INC. (US) | 2016-11-29 | — | — | US | disclosed |
| EP-2991984-A1 | Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES | F. Hoffmann-La Roche AG (CH) | 2016-03-09 | — | — | EP | disclosed |
| US-20160046628-A1 | Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES | HOFFMANN-LA ROCHE INC. (US) | 2016-02-18 | — | — | US | disclosed |
| WO-2014177493-A1 | Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-06 | — | — | 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-20160046628-A1 | Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES | PDE5A, PDE10A, PDE4B | ALDH1A1 866/4885MAPT 3919/4885KDM4E 931/4885 |
“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.