Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL12837658 | 0.87 | KDM4E (0.51) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL27462566 | 0.87 | KDM4E (0.51) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL31336022 | 0.85 | HMGCR (0.54) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL18309197 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL25302842 | 0.84 | KDM4E (0.44) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL11383106 | 0.84 | ALDH1A1 (0.53) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL14525270 | 0.84 | HPGDS (0.47) | KDM4EALDH1A1HPGDCYP3A4TAAR1 | |
| SCHEMBL22578990 | 0.84 | KDM4E (0.50) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL12444067 | 0.83 | ALDH1A1 (0.64) | KDM4EALDH1A1HPGDLCKFYN | |
| SCHEMBL8893882 | 0.83 | HMGCR (0.56) | CYP3A4TAAR1KMT2AMEN1PAX8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5686482-A | DOPAMINE RECEPTOR ANTAGONIST | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-11-11 | — | — | US | disclosed |
| EP-0757985-A1 | N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1997-02-12 | — | — | EP | disclosed |