Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 4/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.33 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3425525 | 1.00 | HTR2C (0.36) | HTR2CNPC1RAB9AL3MBTL1DHFR | |
| SCHEMBL10232542 | 1.00 | HTR2C (0.36) | HTR2CNPC1RAB9AL3MBTL1DHFR | |
| SCHEMBL13747270 | 1.00 | HTR2C (0.36) | HTR2CNPC1RAB9AL3MBTL1DHFR | |
| SCHEMBL10233657 | 0.86 | HTR2C (0.43) | HTR2CNPC1RAB9AL3MBTL1DHFR | |
| SCHEMBL2066099 | 0.85 | TYMS (0.39) | TYMSSRD5A1SRD5A2 | |
| SCHEMBL19488761 | 0.83 | HTR2C (0.37) | HTR2CNPC1RAB9AL3MBTL1DHFR | |
| SCHEMBL2065597 | 0.83 | TYMS (0.35) | TYMSSRD5A1SRD5A2 | |
| SCHEMBL2065596 | 0.83 | TYMS (0.35) | TYMSSRD5A1SRD5A2 | |
| SCHEMBL13746544 | 0.83 | TYMS (0.35) | TYMSSRD5A1SRD5A2 | |
| SCHEMBL883262 | 0.83 | TYMS (0.35) | TYMSSRD5A1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012018325-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-09 | — | — | WO | disclosed |