Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KARS1 | Q15046 | 3/20 | 0.40 |
| ▸ | RXRA | P19793 | 5/20 | 0.40 |
| ▸ | RXRB | P28702 | 4/20 | 0.40 |
| ▸ | RXRG | P48443 | 3/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9418955 | 0.95 | KARS1 (0.42) | KARS1RXRARXRBRXRGCCNE1 | |
| SCHEMBL31003100 | 0.90 | RXRA (0.40) | KARS1RXRARXRBRXRGCCNE1 | |
| SCHEMBL8732926 | 0.89 | RXRA (0.40) | KARS1RXRARXRBRXRGCYP3A4 | |
| SCHEMBL9419032 | 0.84 | RXRA (0.38) | KARS1RXRARXRBRXRGCYP3A4 | |
| SCHEMBL9418950 | 0.81 | RXRA (0.51) | RXRARXRBRXRGCYP3A4UGT2B7 | |
| SCHEMBL31085264 | 0.78 | RXRA (0.41) | KARS1RXRARXRBRXRGCCNE1 | |
| SCHEMBL3541162 | 0.78 | RXRA (0.58) | RXRARXRBRXRGCYP3A4UGT2B7 | |
| SCHEMBL30678320 | 0.77 | ALDH1A1 (0.48) | CYP3A4LMNAMEN1KMT2ATSHR | |
| SCHEMBL7998429 | 0.77 | ALDH1A1 (0.44) | CYP3A4LMNAMEN1KMT2ACYP2D6 | |
| SCHEMBL11107765 | 0.77 | ALDH1A1 (0.48) | CYP3A4LMNAMEN1KMT2ATSHR |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699178-B1 | TETRAHYDRONAPHTHYL AND CYCLOPROPYL SUBSTITUTED 1,3-BUTADIENES HAVING RETINOID-LIKE ACTIVITY | ALLERGAN INC (US) | 1998-06-24 | — | — | EP | disclosed |
| US-5602135-A | SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ARTHEROSCLEROSIS,IMMUNOLOGY, WOUND HEALING AGENT, VISION DEFECTS, SUNSCREEN AGENTS | ALLERGAN | 1997-02-11 | — | — | US | disclosed |
| US-5475022-A | Treating acne | ALLERGAN, INC. (US) | 1995-12-12 | — | — | US | disclosed |
| WO-1995011242-A1 | PHENYL OR HETEROARYL AND TETRAHYDRONAPHTHYL SUBSTITUTED DIENE COMPOUNDS HAVING RETINOID LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1995-04-27 | — | — | WO | disclosed |
| WO-1994026687-A1 | TETRAHYDRONAPHTHYL AND CYCLOPROPYL SUBSTITUTED 1,3-BUTADIENES HAVING RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1994-11-24 | — | — | WO | disclosed |
| US-5344959-A | Skin disorders and anticancer agents | ALLERGAN, INC. (US) | 1994-09-06 | — | — | US | disclosed |
| US-5231113-A | Skin disorders, immunology or wound healing agents | ALLERGAN, INC. (US) | 1993-07-27 | — | — | US | disclosed |
| EP-0337689-B1 | TETRALIN ESTERS OF PHENOLS OR BENZOIC ACIDS HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC (US) | 1993-03-10 | — | — | EP | disclosed |
| US-5130335-A | Treatment of skin disorders | ALLERGAN, INC. (US) | 1992-07-14 | — | — | US | disclosed |
| EP-0337689-A1 | Tetralin esters of phenols or benzoic acids having retinoid like activity | ALLERGAN, INC (US) | 1989-10-18 | — | — | EP | disclosed |