Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MAOA | P21397 | 6/20 | 0.44 |
| ▸ | MAOB | P27338 | 6/20 | 0.44 |
| ▸ | KDM1A | O60341 | 5/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16897870 | 1.00 | NPC1 (0.51) | NPC1RAB9AMAOAMAOBKDM1A | |
| SCHEMBL16874865 | 0.80 | YAP1 (0.54) | NPC1RAB9AMAOAMAOBKDM1A | |
| SCHEMBL16874807 | 0.80 | YAP1 (0.54) | NPC1RAB9AMAOAMAOBKDM1A | |
| SCHEMBL3071701 | 0.80 | YAP1 (0.54) | NPC1RAB9AMAOAMAOBKDM1A | |
| SCHEMBL16874742 | 0.80 | YAP1 (0.54) | NPC1RAB9AMAOAMAOBKDM1A | |
| SCHEMBL3069231 | 0.80 | NPC1 (0.52) | NPC1RAB9AMAOAMAOBKDM1A | |
| SCHEMBL6625519 | 0.79 | HRH3 (0.57) | NPC1RAB9AS1PR5TP53KDM4E | |
| SCHEMBL6625517 | 0.79 | HRH3 (0.57) | NPC1RAB9AS1PR5TP53KDM4E | |
| SCHEMBL6959509 | 0.79 | NPC1 (0.44) | NPC1RAB9AMAOAMAOBKDM1A | |
| SCHEMBL4601018 | 0.78 | CHRM4 (0.54) | NPC1RAB9AMAOAMAOBKDM1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3092224-A1 | SELECTIVE NR2B ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015105772-A1 | SELECTIVE NR2B ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-07-16 | — | — | WO | disclosed |