Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | RXRA | P19793 | 6/20 | 0.49 |
| ▸ | RARA | P10276 | 6/20 | 0.49 |
| ▸ | RARB | P10826 | 6/20 | 0.49 |
| ▸ | RARG | P13631 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.49 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.49 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | APP | P05067 | 4/20 | 0.44 |
| ▸ | SNCA | P37840 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9840849 | 1.00 | CYP1A2 (0.54) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL2187769 | 0.82 | CYP1A2 (0.54) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL7694174 | 0.82 | CYP1A2 (0.58) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL2187774 | 0.82 | CYP1A2 (0.54) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL7694173 | 0.82 | CYP1A2 (0.58) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL11859694 | 0.78 | ALDH1A1 (0.63) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL11859698 | 0.78 | ALDH1A1 (0.63) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL25118490 | 0.77 | CYP1A2 (0.61) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL8809161 | 0.77 | RXRA (0.51) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL8016822 | 0.76 | CYP1A2 (0.51) | CYP1A2RXRARARARARBRARG |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0877743-A1 | ((3\"-THIOXACYCLOHEX-1\"-ENYL))-BUT-3'-ENE-1'-YNYL)ARYL AND HETEROARYL CARBOXYLIC ACIDS AND ESTERS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | Vision Pharmaceuticals L.P. (US) | 1998-11-18 | — | — | EP | disclosed |
| US-5688957-A | (3\"-thioxacyclohex-1\"-enyl)!-but-3'-ene-1'-ynyl!aryl and (3\"-thioxacyclohex-1\"-enyl)!-but-3'-ene-1'-ynyl!heteroaryl carboxylic acids and esters having retinoid-like biological activity | ALLERGAN (US) | 1997-11-18 | — | — | US | disclosed |
| WO-1997024348-A1 | ((3'-THIOXACYCLOHEX-1'-ENYL))-BUT-3'-ENE-1'-YNYL)ARYL AND HETEROARYL CARBOXYLIC ACIDS AND ESTERS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | VISION PHARMACEUTICALS L.P. (US) | 1997-07-10 | — | — | WO | disclosed |
| US-5618836-A | TREATING SKIN DISORDERS | ALLERGAN (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0760810-A1 | METHODS FOR THE SYNTHESIS OF 9-CIS RETINOIDS AND THEIR NOVEL INTERMEDIATES | LIGAND PHARMACEUTICALS, INC. (US) | 1997-03-12 | — | — | EP | disclosed |
| EP-0751140-A2 | Ene-yne unsaturated compounds as accelerators for hydrosilation | DOW CORNING CORPORATION (US) | 1997-01-02 | — | — | EP | 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 |
| US-5493045-A | SILICON HYDRIDE IS REACTED WITH AN UNSATURATED COMPOUND INPRESENCE OF PLATIMUM CATALYST | DOW CORNING CORPORATION (US) | 1996-02-20 | — | — | US | disclosed |
| WO-1995032946-A1 | METHODS FOR THE SYNTHESIS OF 9-CIS RETINOIDS AND THEIR NOVEL INTERMEDIATES | LIGAND PHARMACEUTICALS INCORPORATED (US) | 1995-12-07 | — | — | WO | 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 |
| EP-0272921-B1 | ETHYNYLHETEROAROMATIC ACIDS HAVING RETINOIC ACID-LIKE ACTIVITY | ALLERGAN, INC (US) | 1991-04-24 | — | — | EP | disclosed |
| US-4980484-A | Ethynylheteroaromatic-acids having retinoic acid-like activity | ALLERGAN, INC. (US) | 1990-12-25 | — | — | US | disclosed |
| US-4927947-A | Ethynylheteroaromatic-acids having retinoic acid-like activity | ALLERGAN, INC. (US) | 1990-05-22 | — | — | US | disclosed |
| US-4923884-A | Ethynylheteroaromatic-acids having retinoic acid-like activity | ALLERGAN, INC. (US) | 1990-05-08 | — | — | US | disclosed |
| EP-0272921-A1 | Ethynylheteroaromatic acids having retinoic acid-like activity | ALLERGAN, INC (US) | 1988-06-29 | — | — | EP | disclosed |
| EP-0265069-A1 | Ethynylphenyl-containing retinoic acid derivatives | ALLERGAN, INC (US) | 1988-04-27 | — | — | EP | disclosed |
| US-4739098-A | Ethynylphenyl-containing retinoic acid derivatives | ALLERGAN, INC. (US) | 1988-04-19 | — | — | US | disclosed |