Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997267 | 0.88 | CYP3A4 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8997219 | 0.86 | PTGS1 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20540355 | 0.77 | SMN1; SMN2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8997215 | 0.75 | PTGS1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12134504 | 0.74 | F10 (0.56) | — | |
| SCHEMBL10178937 | 0.70 | F10 (0.53) | CYP1A2CYP2D6CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL10178834 | 0.69 | F10 (0.47) | CYP1A2CYP2D6CYP2C19SMN1; SMN2TP53 | |
| SCHEMBL10181028 | 0.69 | F10 (0.63) | — | |
| SCHEMBL8997262 | 0.69 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29174925 | 0.68 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0561836-A1 | SUBSTITUTED 5-AMINOPYRAZOLS | BASF Aktiengesellschaft (DE) | 1993-09-29 | — | — | EP | claimed |
| WO-1992010480-A1 | SUBSTITUTED 5-AMINOPYRAZOLS | BASF AKTIENGESELLSCHAFT (DE) | 1992-06-25 | — | — | WO | claimed |
| US-5486618-A | PLANT SAFENING AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-23 | — | — | US | disclosed |
| US-5486618-A | PLANT SAFENING AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-23 | — | — | US | disclosed |
| EP-0561836-A1 | SUBSTITUTED 5-AMINOPYRAZOLS | BASF Aktiengesellschaft (DE) | 1993-09-29 | — | — | EP | disclosed |
| EP-0561836-A1 | SUBSTITUTED 5-AMINOPYRAZOLS | BASF Aktiengesellschaft (DE) | 1993-09-29 | — | — | EP | disclosed |
| WO-1992010480-A1 | SUBSTITUTED 5-AMINOPYRAZOLS | BASF AKTIENGESELLSCHAFT (DE) | 1992-06-25 | — | — | WO | disclosed |
| WO-1992010480-A1 | SUBSTITUTED 5-AMINOPYRAZOLS | BASF AKTIENGESELLSCHAFT (DE) | 1992-06-25 | — | — | WO | disclosed |