Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | KDM1A | O60341 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15757454 | 0.93 | NPC1 (0.70) | NPC1RAB9AKDM1AMAOBSLC18A3 | |
| Ammonia Solution, Strong SCHEMBL2454353 | 0.91 | NPC1 (0.68) | NPC1RAB9AKDM1AMAOBSLC18A3 | |
| Cyanide SCHEMBL27531725 | 0.85 | SLC18A3 (0.58) | NPC1RAB9ASLC18A3SIGMAR1GRIN2B | |
| SCHEMBL14880676 | 0.84 | NPC1 (0.60) | NPC1RAB9AKDM1AMAOBSLC18A3 | |
| SCHEMBL15758248 | 0.84 | NPC1 (0.60) | NPC1RAB9AKDM1AMAOBSLC18A3 | |
| SCHEMBL18900787 | 0.83 | NPC1 (0.59) | NPC1RAB9AKDM1AMAOBSLC18A3 | |
| SCHEMBL10091174 | 0.83 | NPC1 (0.59) | NPC1RAB9AKDM1AMAOBSLC18A3 | |
| SCHEMBL7265967 | 0.83 | NPC1 (0.65) | NPC1RAB9AKDM1AMAOBSLC18A3 | |
| SCHEMBL21338798 | 0.83 | NPC1 (0.59) | NPC1RAB9AKDM1AMAOBSLC18A3 | |
| SCHEMBL10091206 | 0.83 | NPC1 (0.59) | NPC1RAB9AKDM1AMAOBSLC18A3 |
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-103596566-A | Polycyclic LPA1 antagonists and uses thereof | AMIRA PHARMACEUTICALS INC | 2014-02-19 | — | — | CN | disclosed |