Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL407439 | 0.70 | NPC1 (0.70) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL1893352 | 0.68 | ALDH1A1 (0.46) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL11498921 | 0.68 | NOS3 (0.43) | NPC1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL134599 | 0.65 | NPC1 (0.57) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL6469101 | 0.63 | NPC1 (0.72) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Oxindole SCHEMBL28517700 | 0.62 | AHR (0.70) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4861947 | 0.62 | MAPT (0.72) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL10351891 | 0.62 | MEN1 (0.48) | MEN1KMT2AALDH1A1L3MBTL1HPGD | |
| SCHEMBL8549657 | 0.61 | NPC1 (0.57) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4227502 | 0.61 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 |
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-0825986-A1 | QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1998-03-04 | — | — | EP | disclosed |
| US-5616712-A | SKIN DISORDERS; ANTICARCINOGENIC AND -INFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; | ALLERGAN (US) | 1997-04-01 | — | — | US | disclosed |
| US-5616712-A | SKIN DISORDERS; ANTICARCINOGENIC AND -INFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; | ALLERGAN (US) | 1997-04-01 | — | — | US | disclosed |
| WO-1996036609-A1 | QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-11-21 | — | — | WO | disclosed |