Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9585370 | 1.00 | NPC1 (0.48) | NPC1RAB9ARXFP1KDM4EALDH1A1 | |
| SCHEMBL789315 | 0.76 | NPC1 (0.50) | NPC1RAB9ARXFP1KDM4EALDH1A1 | |
| SCHEMBL789316 | 0.76 | NPC1 (0.50) | NPC1RAB9ARXFP1KDM4EALDH1A1 | |
| SCHEMBL9586445 | 0.74 | TP53 (0.46) | NPC1RAB9ARXFP1KDM4EMAPT | |
| SCHEMBL9586444 | 0.74 | TP53 (0.46) | NPC1RAB9ARXFP1KDM4EMAPT | |
| SCHEMBL7402395 | 0.68 | ADORA2A (0.76) | KDM4EALDH1A1ADORA2AMAOBCYP1A2 | |
| SCHEMBL7288931 | 0.68 | ADORA2A (0.76) | KDM4EALDH1A1ADORA2AMAOBCYP1A2 | |
| SCHEMBL5749497 | 0.65 | NPC1 (1.00) | NPC1RAB9ARXFP1KDM4EALDH1A1 | |
| SCHEMBL5749492 | 0.65 | NPC1 (1.00) | NPC1RAB9ARXFP1KDM4EALDH1A1 | |
| SCHEMBL7344568 | 0.63 | ADORA2A (0.67) | ADORA2AADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-5270316-A | Condensed purine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-12-14 | — | — | US | disclosed |