Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 3/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL1980119 | 0.90 | DPP4 (0.45) | ALDH1A1KDM4EKMT2ADPP4BLM | |
| SCHEMBL7205686 | 0.84 | ITGB3 (0.50) | ITGB3ITGA2BALDH1A1RAB9ANPC1 | |
| SCHEMBL1980413 | 0.84 | CTSC (0.55) | CYP3A4CYP2D6TSHR | |
| SCHEMBL1978322 | 0.82 | FKBP1A (0.47) | — | |
| SCHEMBL12597632 | 0.81 | KDM4E (0.52) | ITGB3ITGA2BALDH1A1RAB9ANPC1 | |
| SCHEMBL7775137 | 0.80 | CTSC (0.59) | CYP3A4CYP2D6KDM4ETSHR | |
| SCHEMBL13938199 | 0.78 | KDM4E (0.50) | ITGB3ITGA2BALDH1A1RAB9ANPC1 | |
| SCHEMBL1979225 | 0.77 | USP30 (0.50) | ITGB3ITGA2BALDH1A1RAB9ANPC1 | |
| SCHEMBL13938072 | 0.76 | RAB9A (0.58) | ITGB3ITGA2BALDH1A1RAB9AHPGD | |
| SCHEMBL1986802 | 0.76 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326834-B1 | 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS | H LEE MOFFITT CANCER CT & RES (US) | 2011-06-29 | — | — | EP | disclosed |
| EP-1326834-B1 | 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS | H LEE MOFFITT CANCER CT & RES (US) | 2011-06-29 | — | — | EP | disclosed |