Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | POR | P16435 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8836955 | 0.78 | MALT1 (0.38) | TDP2CYP3A4CYP2C19MALT1KDM1A | |
| SCHEMBL6292652 | 0.78 | MALT1 (0.38) | TDP1MALT1 | |
| SCHEMBL8772560 | 0.74 | CYP26A1 (0.30) | CYP3A4RARBRARG | |
| SCHEMBL1119749 | 0.74 | CYP2A6 (0.39) | IDO1KDM4EMEN1CES2GMNN | |
| SCHEMBL8772592 | 0.74 | CYP26A1 (0.30) | CYP3A4RARBRARG | |
| SCHEMBL30205839 | 0.74 | CYP2A6 (0.39) | IDO1KDM4EMEN1CES2GMNN | |
| SCHEMBL5749836 | 0.71 | CYP2A6 (0.46) | KDM4EMEN1CES2TDP2ALDH1A1 | |
| SCHEMBL21941410 | 0.71 | RARB (0.33) | IDO1KDM4EMEN1CES2GMNN | |
| SCHEMBL1119857 | 0.67 | HPGD (0.44) | MEN1ALDH1A1LMNACYP1A2CYP2C19 | |
| SCHEMBL8525588 | 0.67 | HPGD (0.44) | MEN1ALDH1A1LMNACYP1A2CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0800517-A1 | ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | Allergan (US) | 1997-10-15 | — | — | EP | disclosed |