Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1515117 | 0.77 | NOS3 (0.41) | NOS3NOS1NOS2PLAUNPC1 | |
| SCHEMBL8935522 | 0.75 | CYP2D6 (0.40) | NOS3NOS1NOS2PLAUNPC1 | |
| SCHEMBL10388003 | 0.75 | NOS3 (0.39) | NOS3NOS1NOS2PLAUNPC1 | |
| SCHEMBL5542044 | 0.75 | NOS3 (0.39) | NOS3NOS1NOS2PLAUNPC1 | |
| SCHEMBL11647276 | 0.69 | NOS3 (0.39) | NOS3NOS1NOS2NPC1ALDH1A1 | |
| SCHEMBL5008486 | 0.68 | NOS3 (0.42) | NOS3NOS1NOS2PLAUALDH1A1 | |
| SCHEMBL7137711 | 0.67 | HTR1A (0.41) | NOS3NOS1NOS2 | |
| SCHEMBL6796979 | 0.66 | NOS3 (0.46) | NOS3NOS1NOS2MAPTCYP19A1 | |
| SCHEMBL688175 | 0.64 | NOS3 (0.56) | NOS3NOS1NOS2NPC1ALDH1A1 | |
| SCHEMBL6397208 | 0.62 | IDO1 (0.50) | IDO1PDPK1CYP11B2 |
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 |