Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL5476399 | 0.83 | NPC1 (0.67) | NPC1RAB9AALDH1A1PNMTKDM4E | |
| SCHEMBL1567603 | 0.77 | RAB9A (0.74) | NPC1RAB9AALDH1A1CYP1A2PNMT | |
| SCHEMBL1156914 | 0.77 | NPC1 (0.74) | NPC1RAB9AALDH1A1CYP1A2PNMT | |
| SCHEMBL6693073 | 0.76 | CYP1A2 (0.60) | NPC1RAB9AALDH1A1CYP1A2KDM4E | |
| SCHEMBL144325 | 0.76 | NPC1 (1.00) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL18320647 | 0.75 | RAB9A (0.43) | NPC1RAB9APNMTKDM4EDRD2 | |
| SCHEMBL20887168 | 0.75 | RAB9A (0.71) | NPC1RAB9AALDH1A1PNMTKMT2A | |
| SCHEMBL20887164 | 0.75 | NPC1 (0.71) | NPC1RAB9AALDH1A1CYP1A2PNMT | |
| SCHEMBL7816504 | 0.75 | NPC1 (0.71) | NPC1RAB9AALDH1A1CYP1A2PNMT | |
| SCHEMBL7931528 | 0.75 | NPC1 (0.67) | NPC1RAB9AALDH1A1CYP1A2PNMT |
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-5750547-A | Certain carbanate anti-cancer agents | UNIVERSITE LAVAL (CA) | 1998-05-12 | — | — | US | disclosed |