Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.56 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11076313 | 0.94 | IDO1 (0.51) | IDO1TBXAS1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL11079557 | 0.92 | IDO1 (0.58) | IDO1TBXAS1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL11632604 | 0.92 | CYP3A4 (0.53) | IDO1TBXAS1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL11078028 | 0.90 | TBXAS1 (0.52) | IDO1TBXAS1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL11071440 | 0.89 | IDO1 (0.44) | IDO1TBXAS1CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL11078504 | 0.89 | TBXAS1 (0.47) | IDO1TBXAS1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL11070048 | 0.88 | IDO1 (0.51) | IDO1TBXAS1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL11070590 | 0.87 | TBXAS1 (0.56) | IDO1TBXAS1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL11068886 | 0.87 | TBXAS1 (0.56) | IDO1TBXAS1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL11078492 | 0.87 | CYP3A4 (0.50) | IDO1TBXAS1CYP19A1CYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0005980-B1 | DERIVATIVES OF SUBSTITUTED N-ALKYL IMIDAZOLES, THEIR PREPARATION AND THESE COMPOUNDS FOR PHARMACEUTICAL USE | SYNTEX (U.S.A.) INC. (US) | 1984-08-29 | — | — | EP | disclosed |
| US-4213991-A | BACTERICIDES, FUNGICIDES, ANTIPROTOZOA | SYNTEX (U.S.A.) INC. (US) | 1980-07-22 | — | — | US | disclosed |
| EP-0005980-A2 | Derivatives of substituted N-alkyl imidazoles, their preparation and these compounds for pharmaceutical use | SYNTEX (U.S.A.) INC. (US) | 1979-12-12 | — | — | EP | disclosed |