Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL2706827 | 0.86 | CYP3A4 (0.40) | CYP3A4ALDH1A1MAOAMAOBTSHR | |
| SCHEMBL4444354 | 0.77 | NOTUM (0.53) | ALDH1A1MAPTRAB9ATSHRHTT | |
| SCHEMBL5533649 | 0.72 | NOTUM (0.65) | NOTUM | |
| SCHEMBL9275497 | 0.71 | MEN1 (0.54) | CYP3A4ALDH1A1MAPT | |
| SCHEMBL9400122 | 0.67 | MEN1 (0.56) | CYP3A4ALDH1A1MAPT | |
| SCHEMBL15880597 | 0.67 | NOTUM (0.49) | ALDH1A1RAB9ATSHRNOTUMESR2 | |
| SCHEMBL17965211 | 0.66 | NOTUM (0.45) | ALDH1A1MAPTHTTNOTUMGAA | |
| SCHEMBL1855164 | 0.66 | LMNA (0.52) | CYP3A4ALDH1A1MAPTTSHRHTT | |
| SCHEMBL4902073 | 0.65 | POLB (0.51) | MAPTNOTUM | |
| SCHEMBL9400058 | 0.65 | MEN1 (0.54) | CYP3A4ALDH1A1MAPTNOTUM |
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-1991019475-A2 | QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1991-12-26 | — | — | WO | disclosed |