Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.44 |
| ▸ | RHOC | P08134 | 2/20 | 0.42 |
| ▸ | RHOA | P61586 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.35 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5802941 | 0.74 | TACR1 (0.52) | TACR1GPBAR1RHOCRHOADRD4 | |
| SCHEMBL5084706 | 0.72 | TACR1 (0.59) | TACR1GPBAR1RHOCRHOAMLYCD | |
| SCHEMBL1599550 | 0.71 | TACR1 (0.54) | TACR1GPBAR1RHOCRHOAMLYCD | |
| SCHEMBL14602910 | 0.69 | TACR1 (0.39) | TACR1GPBAR1RHOCRHOADRD4 | |
| SCHEMBL13461889 | 0.69 | TACR1 (0.50) | TACR1GPBAR1RHOCRHOAMAPT | |
| SCHEMBL1587806 | 0.67 | TACR1 (0.56) | TACR1GPBAR1RHOCRHOAMLYCD | |
| SCHEMBL17633959 | 0.66 | XPO1 (0.55) | — | |
| SCHEMBL29885514 | 0.66 | XPO1 (0.55) | — | |
| SCHEMBL27312602 | 0.66 | TACR1 (0.67) | TACR1GPBAR1RHOCRHOAMAPT | |
| SCHEMBL13436122 | 0.66 | TACR1 (0.62) | TACR1GPBAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1848430-B1 | NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS | Dr Reddys Laboratories Ltd (IN) | 2017-08-02 | — | — | EP | disclosed |