Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | HPGD | P15428 | 8/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9023693 | 0.85 | NPC1 (0.36) | NPC1RAB9ACASP3ATMSENP8 | |
| SCHEMBL8564695 | 0.84 | RARA (0.46) | NPC1RAB9ACASP3ATMSENP8 | |
| SCHEMBL9116297 | 0.83 | JAK2 (0.36) | NPC1RAB9ACASP3ATMSENP8 | |
| SCHEMBL5471517 | 0.77 | RARA (0.49) | NPC1RAB9ACASP3ATMSENP8 | |
| SCHEMBL9333837 | 0.76 | NPC1 (0.45) | NPC1RAB9ACASP3ATMSENP8 | |
| SCHEMBL9334990 | 0.76 | NPC1 (0.45) | NPC1RAB9ACASP3ATMSENP8 | |
| SCHEMBL9024438 | 0.72 | RARA (0.38) | KDM4EALDH1A1HPGDRARARARB | |
| SCHEMBL9024941 | 0.68 | RARB (0.64) | ALDH1A1MAPTKMT2ARARARARB | |
| SCHEMBL9024853 | 0.67 | KDM4E (0.41) | KDM4EALDH1A1HPGDRARARARB | |
| SCHEMBL8866206 | 0.67 | HDAC3 (0.41) | NPC1RAB9ACASP3ATMSENP8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0738267-A1 | ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995018803-A1 | ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1995-07-13 | — | — | WO | disclosed |
| US-5399561-A | Used for treating skin disorders in mammals | ALLERGAN, INC. (US) | 1995-03-21 | — | — | US | disclosed |