Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL489624 | 0.81 | CYP1A2 (0.61) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL164477 | 0.81 | CYP1A2 (0.61) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL15500861 | 0.81 | MAPT (0.46) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL28073188 | 0.80 | CYP1A2 (0.59) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL2684912 | 0.80 | CYP1A2 (0.59) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL12228832 | 0.80 | CYP1A2 (0.59) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL29214355 | 0.79 | HTT (0.53) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL27888086 | 0.79 | CYP1A2 (0.57) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL27955600 | 0.79 | CYP1A2 (0.57) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL6197890 | 0.78 | CYP1A2 (0.53) | CYP1A2MAPTALDH1A1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5618836-A | TREATING SKIN DISORDERS | ALLERGAN (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0737190-A1 | [4-(1,2-EPOXYCYCLOHEXANYL) BUT-3-EN-1-YNYL] AROMATIC AND HETEROAROMATIC ACIDS AND DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | Allergan (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018120-A1 | [4-(1,2-EPOXYCYCLOHEXANYL) BUT-3-EN-1-YNYL] AROMATIC AND HETEROAROMATIC ACIDS AND DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1995-07-06 | — | — | WO | disclosed |
| US-5426118-A | Treatment of skin disorders | ALLERGAN, INC. (US) | 1995-06-20 | — | — | US | disclosed |