Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 8/20 | 0.41 |
| ▸ | RARA | P10276 | 7/20 | 0.41 |
| ▸ | RARG | P13631 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6576434 | 0.89 | RARB (0.48) | RARBRARARARGCYP3A4CYP26A1 | |
| SCHEMBL6578640 | 0.88 | RARB (0.49) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL8614817 | 0.80 | RARB (0.52) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL6578025 | 0.78 | RARB (0.65) | RARBRARARARGCYP3A4CYP26A1 | |
| SCHEMBL6575676 | 0.73 | RARB (0.39) | RARBRARARARGCYP3A4CYP26A1 | |
| SCHEMBL19342953 | 0.73 | RARA (0.65) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL6574397 | 0.73 | RARA (0.37) | RARBRARARARG | |
| SCHEMBL5736491 | 0.73 | RARB (0.43) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL6575692 | 0.70 | MAPK1 (0.53) | RARBRARARARGCYP3A4KMT2A | |
| SCHEMBL6574370 | 0.70 | RARB (0.67) | RARBRARARARGCYP3A4CYP26A1 |
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 2 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 |
| US-5739338-A | SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS | ALLERGAN (US) | 1998-04-14 | — | — | US | disclosed |