Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 6/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP4B1 | P13584 | 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 | |
|---|---|---|---|---|
| SCHEMBL7265586 | 0.82 | AOC3 (0.45) | ALDH1A1KMT2AESR1ESR2CYP3A4 | |
| SCHEMBL10778456 | 0.80 | ALDH1A1 (0.51) | ALDH1A1GAAESR1ESR2 | |
| SCHEMBL4713706 | 0.79 | ALDH1A1 (0.48) | ALDH1A1GAACYP1A1CYP1B1PDE4A | |
| SCHEMBL9039805 | 0.77 | DHFR (0.47) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4716539 | 0.73 | ALDH1A1 (0.46) | ALDH1A1GAACYP1A1CYP1B1PDE4A | |
| SCHEMBL11854342 | 0.73 | ALDH1A1 (0.46) | ALDH1A1GAACYP1A1CYP1B1PDE4A | |
| SCHEMBL4710902 | 0.73 | ALDH1A1 (0.46) | ALDH1A1GAACYP1A1CYP1B1PDE4A | |
| SCHEMBL1640618 | 0.72 | ACHE (0.53) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10170605 | 0.72 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1KMT2ANQO2 | |
| SCHEMBL40553 | 0.71 | ALDH1A1 (0.61) | ALDH1A1CYP1A1CYP1B1KMT2ANQO2 |
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-0231003-B1 | BASIC SUBSTITUTED PHENYLACETONITRILES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1993-04-07 | — | — | EP | disclosed |
| US-4968717-A | SEROTONIN-AND CALCIUM-ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |
| US-4481207-A | CALCIUM ANTAGONISTS, HYPOTENSIVES | SYNTHELABO (FR) | 1984-11-06 | — | — | US | disclosed |