Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7779192 | 0.82 | CFTR (0.40) | CFTRIDO1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7779269 | 0.81 | CDK1 (0.39) | CFTRCDK1IDO1 | |
| SCHEMBL7779256 | 0.79 | LMNA (0.43) | CFTRCYP1A2CYP2C19KDM4EGLA | |
| SCHEMBL31711403 | 0.78 | CDK1 (0.36) | CFTRCDK1IDO1CYP1A2CYP3A4 | |
| SCHEMBL8659559 | 0.76 | TRPA1 (0.35) | CFTRCDK1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28527258 | 0.72 | CDK1 (0.41) | CFTRCDK1KDM4ETDP1GLA | |
| SCHEMBL16046405 | 0.72 | CFTR (0.41) | CFTRCDK1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8531219 | 0.72 | AURKA (0.39) | CFTRMBOAT4IDO1CYP1A2CYP3A4 | |
| SCHEMBL1858748 | 0.72 | CFTR (0.41) | CFTRCDK1MBOAT4KDM4ECTSS | |
| SCHEMBL31717937 | 0.72 | PIK3CD (0.41) | IDO1ADRB2KDM4EGLA |
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-0759429-B1 | Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles | BASF AG (DE) | 2001-10-24 | — | — | EP | claimed |
| US-5750705-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | claimed |
| EP-0759429-A1 | Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles | BASF Aktiengesellschaft (DE) | 1997-02-26 | — | — | EP | claimed |
| US-5849920-A | Substituted trifluoromethylpyridines | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |
| US-5750705-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | disclosed |