Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | LCK | P06239 | 1/20 | 0.53 |
| ▸ | FYN | P06241 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL9706363 | 0.92 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL2902421 | 0.90 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL31634578 | 0.90 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL1965781 | 0.90 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL2890743 | 0.88 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL12444067 | 0.85 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL17774729 | 0.85 | HTT (0.52) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL27685955 | 0.85 | LCK (0.65) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL18669213 | 0.84 | KDM4E (0.56) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL6371675 | 0.84 | CYP3A4 (0.55) | ALDH1A1KDM4EL3MBTL1CYP3A4POLB |
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 |