Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8642939 | 0.84 | CHRNA7 (0.47) | ALDH1A1HPGDPTGS2PTGS1L3MBTL1 | |
| SCHEMBL7460234 | 0.83 | PTGS2 (0.69) | CYP2C9PTGS2PTGS1HDAC3HDAC4 | |
| SCHEMBL8642066 | 0.83 | PTGS2 (0.47) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7466958 | 0.83 | PTGS2 (0.55) | ALDH1A1HPGDPTGS2PTGS1HDAC3 | |
| SCHEMBL8642428 | 0.82 | CA9 (0.58) | ALDH1A1MAPTMAPK1PPP1CASMN1; SMN2 | |
| SCHEMBL8642605 | 0.80 | NPC1 (0.48) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| Dimethylamine SCHEMBL9211092 | 0.78 | NPC1 (0.49) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15346633 | 0.77 | ALDH1A1 (0.84) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8642612 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8640795 | 0.76 | KDM4C (0.50) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0856000-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLES FOR TREAMENT OF INFLAMMATION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-08-05 | — | — | EP | disclosed |
| WO-1997013755-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLES FOR TREAMENT OF INFLAMMATION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-04-17 | — | — | WO | disclosed |