Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2076570 | 0.99 | HRH4 (0.50) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB | |
| SCHEMBL2074092 | 0.90 | HRH4 (0.53) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB | |
| SCHEMBL2075851 | 0.89 | HRH4 (0.51) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB | |
| SCHEMBL2074480 | 0.88 | HRH4 (0.55) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB | |
| SCHEMBL2074889 | 0.88 | HRH4 (0.55) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB | |
| SCHEMBL2075259 | 0.88 | HRH4 (0.55) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB | |
| SCHEMBL2074954 | 0.88 | HRH4 (0.55) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB | |
| SCHEMBL2074972 | 0.88 | HRH4 (0.55) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB | |
| SCHEMBL2076138 | 0.87 | HRH4 (0.54) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB | |
| SCHEMBL2075478 | 0.87 | HRH4 (0.54) | HRH4SMN1; SMN2RAB9AALDH1A1PDGFRB |
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-7902184-B2 | Piperazinyl pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-08 | — | — | US | disclosed |