Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | LCK | P06239 | 1/20 | 0.55 |
| ▸ | FYN | P06241 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12444067 | 0.91 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL7015758 | 0.89 | KDM4E (0.50) | ALDH1A1KDM4EHPGDLCKFYN | |
| Hydrochloric Acid SCHEMBL28599506 | 0.89 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL30350316 | 0.85 | CYP3A4 (0.69) | ALDH1A1KDM4ELCKFYNCYP3A4 | |
| SCHEMBL347214 | 0.85 | LCK (0.73) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL7457674 | 0.85 | CYP3A4 (0.69) | ALDH1A1KDM4ELCKFYNCYP3A4 | |
| SCHEMBL29765241 | 0.85 | LCK (0.73) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL20630769 | 0.84 | HTT (0.68) | ALDH1A1KDM4EHPGDLCKFYN | |
| SCHEMBL2830233 | 0.84 | LCK (0.72) | ALDH1A1KDM4EHPGDLCKFYN | |
| Hydrochloric Acid SCHEMBL22129893 | 0.83 | LCK (0.70) | ALDH1A1KDM4EHPGDLCKFYN |
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-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 |
| US-RE32196-E | PROPHYLACTIC CHEMOTHERAPY OF ALLERGIC CONDITIONS | LILLY INDUSTRIES LIMITED (GB) | 1986-07-01 | — | — | US | disclosed |
| US-4259340-A | PROPHYLACTIC CHEMOTHERAPY OF ALLERGIC CONDITIONS SUCH AS ASTHMA | LILLY INDUSTRIES LIMITED (GB) | 1981-03-31 | — | — | US | disclosed |