Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | IDO1 | P14902 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22206166 | 0.83 | NPC1 (0.55) | NPC1RAB9AIDO1BCHEACHE | |
| SCHEMBL29838394 | 0.83 | NPC1 (0.55) | NPC1RAB9AIDO1BCHEACHE | |
| SCHEMBL28424865 | 0.79 | NPC1 (0.55) | NPC1RAB9AIDO1BCHEACHE | |
| SCHEMBL29838492 | 0.78 | ALDH1A1 (0.56) | NPC1RAB9AIDO1ACHEKEAP1 | |
| SCHEMBL22206168 | 0.78 | ALDH1A1 (0.56) | NPC1RAB9AIDO1ACHEKEAP1 | |
| SCHEMBL29441685 | 0.78 | NPC1 (0.52) | NPC1RAB9AIDO1BCHEACHE | |
| SCHEMBL1262545 | 0.78 | NPC1 (0.52) | NPC1RAB9AIDO1BCHEACHE | |
| SCHEMBL30461136 | 0.76 | RAB9A (0.69) | NPC1RAB9AIDO1BCHEACHE | |
| SCHEMBL30461135 | 0.76 | RAB9A (0.69) | NPC1RAB9AIDO1BCHEACHE | |
| SCHEMBL30914344 | 0.76 | MAPT (0.63) | NPC1RAB9AIDO1KEAP1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1351595-A | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CO (US) | 2002-05-29 | — | — | CN | disclosed |