Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6207258 | 0.94 | POLB (0.51) | ADORA2AADORA1POLBRAB9AALDH1A1 | |
| SCHEMBL6206374 | 0.86 | ADORA2A (0.58) | ADORA2AADORA1POLBRAB9AALDH1A1 | |
| SCHEMBL6224870 | 0.81 | CFTR (0.62) | ADORA2AADORA1POLBRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL6205300 | 0.81 | CFTR (0.61) | ADORA2AADORA1POLBRAB9ANPC1 | |
| SCHEMBL6206009 | 0.79 | HPGD (0.58) | POLBRAB9AALDH1A1NPC1HPGD | |
| SCHEMBL6205349 | 0.79 | NHERF1 (0.65) | ADORA2AADORA1POLBSMN1; SMN2 | |
| SCHEMBL6207242 | 0.79 | ADORA2A (0.47) | ADORA2AADORA1 | |
| SCHEMBL29050126 | 0.78 | ALDH1A1 (0.60) | POLBRAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL6206241 | 0.77 | RAB9A (0.48) | ADORA2AADORA1POLBRAB9AALDH1A1 | |
| SCHEMBL6197498 | 0.77 | ADORA2A (0.61) | ADORA2AADORA1POLBRAB9AALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177177-B1 | SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2005-02-23 | — | — | EP | claimed |