Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6206485 | 0.91 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2APOLBRAB9A | |
| SCHEMBL6205917 | 0.89 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2APOLBRAB9A | |
| SCHEMBL6205418 | 0.84 | ALDH1A1 (0.75) | ALDH1A1MEN1KMT2APOLBRAB9A | |
| SCHEMBL6204183 | 0.84 | POLB (0.72) | ALDH1A1MEN1KMT2APOLBRAB9A | |
| SCHEMBL6206287 | 0.81 | HPGD (0.60) | ALDH1A1MEN1KMT2APOLBRAB9A | |
| SCHEMBL6230868 | 0.80 | RAB9A (0.80) | POLBRAB9AADORA2AADORA1NPC1 | |
| SCHEMBL6204974 | 0.80 | POLB (0.64) | ALDH1A1MEN1KMT2APOLBRAB9A | |
| Hydrochloric Acid SCHEMBL6204618 | 0.79 | RAB9A (0.79) | POLBRAB9AADORA2AADORA1NPC1 | |
| SCHEMBL6206709 | 0.79 | POLB (0.70) | ALDH1A1MEN1KMT2APOLBRAB9A | |
| SCHEMBL6205660 | 0.76 | ADORA2A (0.68) | POLBRAB9AADORA2AADORA1NPC1 |
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 |