Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 3/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6574407 | 0.87 | HSD11B1 (0.42) | SIGMAR1ALDH1A1MAPTPIK3CAHSD11B1 | |
| SCHEMBL6574397 | 0.80 | RARA (0.37) | HTR2BHTR7TMEM97SIGMAR1 | |
| SCHEMBL6575696 | 0.79 | RARB (0.46) | ALDH1A1RORCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6575676 | 0.76 | RARB (0.39) | PIK3CAGABRA1CYP3A4 | |
| SCHEMBL9143502 | 0.75 | GABRA1 (0.38) | HTR2BSIGMAR1ALDH1A1GABRA1GABRB2 | |
| SCHEMBL6577986 | 0.73 | RARB (0.59) | ALDH1A1RORCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6575669 | 0.73 | RARB (0.59) | ALDH1A1RORCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6578025 | 0.72 | RARB (0.65) | CYP3A4 | |
| SCHEMBL7712301 | 0.72 | RARA (0.53) | HTR2BSIGMAR1HSD11B1GABRA1GABRB2 | |
| SCHEMBL6578039 | 0.71 | RXRA (0.43) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0937045-B1 | N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY | ALLERGAN INC (US) | 2004-04-28 | — | — | EP | disclosed |
| EP-0937045-A1 | N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY | Allergan Sales, Inc. (US) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998019999-A1 | N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY | ALLERGAN SALES, INC. (US) | 1998-05-14 | — | — | WO | disclosed |
| US-5739338-A | SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS | ALLERGAN (US) | 1998-04-14 | — | — | US | disclosed |