Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | GAA | P10253 | 3/20 | 0.64 |
| ▸ | POLB | P06746 | 4/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | APEX1 | P27695 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.51 |
| ▸ | DNMT1 | P26358 | 4/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8883742 | 1.00 | ALDH1A1 (0.64) | ALDH1A1GAAPOLBCYP2C19KDM4E | |
| SCHEMBL31259885 | 0.86 | ALDH1A1 (0.49) | ALDH1A1GAAPOLBCYP2C19KDM4E | |
| SCHEMBL31259845 | 0.81 | TNF (0.45) | ALDH1A1GAAPOLBCYP2C19HPGD | |
| SCHEMBL17525741 | 0.80 | ALDH1A1 (0.56) | ALDH1A1GAACYP2C19HPGDL3MBTL1 | |
| SCHEMBL4861809 | 0.79 | ALDH1A1 (1.00) | ALDH1A1GAAPOLBKDM4ETP53 | |
| SCHEMBL478614 | 0.79 | ALDH1A1 (1.00) | ALDH1A1GAAPOLBKDM4ETP53 | |
| SCHEMBL392680 | 0.79 | ALDH1A1 (1.00) | ALDH1A1GAAPOLBKDM4ETP53 | |
| SCHEMBL30216480 | 0.79 | ALDH1A1 (1.00) | ALDH1A1GAAPOLBKDM4ETP53 | |
| SCHEMBL6634871 | 0.78 | TDP1 (0.59) | ALDH1A1GAACYP2C19TP53GLA | |
| Hydrochloric Acid SCHEMBL7840775 | 0.77 | ALDH1A1 (0.97) | ALDH1A1GAAPOLBKDM4ETP53 |
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-5679671-A | ANGIOTENSIN 1-CONVERTING ENZYME INHIBITOR, VASOPRESSIN ANTAGONISM AND ATRIAL NAUTRIURETIC PEPTIDE HYDROLASE INHIBITOR | EISAI CO., LTD. (JP) | 1997-10-21 | — | — | US | disclosed |
| EP-0671172-A1 | AMINO ACID DERIVATIVE | Eisai Co., Ltd. (JP) | 1995-09-13 | — | — | EP | disclosed |