Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 5/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | F2R | P25116 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1981342 | 0.88 | GHSR (0.47) | ITGB3ITGA2BALDH1A1HPGDTSHR | |
| SCHEMBL1978336 | 0.84 | ITGB3 (0.47) | ITGB3ITGA2BKDM4EKMT2AALDH1A1 | |
| SCHEMBL13938202 | 0.83 | FKBP1A (0.46) | — | |
| SCHEMBL13938199 | 0.80 | KDM4E (0.50) | ITGB3ITGA2BKDM4EKMT2AALDH1A1 | |
| SCHEMBL12597632 | 0.80 | KDM4E (0.52) | ITGB3ITGA2BKDM4EKMT2AALDH1A1 | |
| SCHEMBL13938181 | 0.79 | ALDH1A1 (0.48) | ITGB3ITGA2BKDM4EKMT2AALDH1A1 | |
| SCHEMBL1979225 | 0.78 | USP30 (0.50) | ITGB3ITGA2BKDM4EKMT2AALDH1A1 | |
| SCHEMBL13938072 | 0.77 | RAB9A (0.58) | ITGB3ITGA2BALDH1A1HPGDRAB9A | |
| SCHEMBL1980094 | 0.77 | GHSR (0.45) | ITGB3ITGA2BALDH1A1TSHRHTT | |
| SCHEMBL1986802 | 0.75 | FKBP1A (0.48) | KDM4EKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7476680-B2 | Substituted heterocyclic compounds for treating multidrug resistance | H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) | 2009-01-13 | — | — | US | disclosed |
| US-7476680-B2 | Substituted heterocyclic compounds for treating multidrug resistance | H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) | 2009-01-13 | — | — | US | disclosed |
| EP-1326833-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE | THE PROCTER & GAMBLE COMPANY (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002032869-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE | THE PROCTER & GAMBLE COMPANY (US) | 2002-04-25 | — | — | WO | disclosed |