Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4192413 | 0.81 | ALDH1A1 (0.38) | ALDH1A1KDM4EALOX15NPC1RAB9A | |
| SCHEMBL1704141 | 0.76 | ALDH1A1 (0.55) | ALDH1A1MAOBNPC1RAB9AMAPT | |
| SCHEMBL28230707 | 0.69 | MEN1 (0.51) | ALDH1A1KDM4ENPC1RAB9AMAPT | |
| SCHEMBL27438368 | 0.68 | ACHE (0.48) | ALDH1A1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL156656 | 0.68 | MAOB (0.38) | ALDH1A1MAOAMAOBNPC1RAB9A | |
| SCHEMBL4192407 | 0.68 | NPSR1 (0.41) | ALDH1A1KDM4ENPC1RAB9AHTT | |
| SCHEMBL15783792 | 0.68 | ACHE (0.44) | ALDH1A1NPC1RAB9AMAPTHTT | |
| SCHEMBL4836968 | 0.67 | KMT2A (0.48) | ALDH1A1KDM4EMAOBMAPTTSHR | |
| SCHEMBL1704771 | 0.67 | ALDH1A1 (0.37) | ALDH1A1ALOX15CA2MAPK1 | |
| SCHEMBL453104 | 0.67 | ELANE (0.46) | ALOX15RAB9AMAPTELANECYP19A1 |
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-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |