Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30877258 | 0.70 | L3MBTL1 (0.39) | L3MBTL1NPC1RAB9AALKKDM4E | |
| SCHEMBL4759739 | 0.69 | CYP3A4 (0.33) | NPC1NTRK1KDM4EGAAHSD17B10 | |
| SCHEMBL30822667 | 0.68 | JAK2 (0.39) | L3MBTL1NPC1RAB9AALKKDM4E | |
| SCHEMBL30822718 | 0.66 | TYMS (0.39) | NPC1RAB9AALKKDM4EGAA | |
| SCHEMBL30822708 | 0.66 | AURKA (0.41) | L3MBTL1NPC1RAB9AALKKDM4E | |
| SCHEMBL30822710 | 0.64 | CYP1A2 (0.40) | L3MBTL1NPC1RAB9AALKKDM4E | |
| SCHEMBL2113726 | 0.62 | MEN1 (0.45) | L3MBTL1NPC1KDM4EGAAHSD17B10 | |
| SCHEMBL9040861 | 0.62 | ALDH1A1 (0.41) | NPC1RAB9AKDM4EGAAHSD17B10 | |
| SCHEMBL12778661 | 0.61 | — | — | |
| SCHEMBL1269262 | 0.61 | KDM4E (0.50) | L3MBTL1NPC1RAB9AKDM4EGAA |
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-2051980-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008021924-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-21 | — | — | WO | disclosed |