Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | COXFA4 | O00483 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8902134 | 0.79 | HIF1A (0.39) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL30140565 | 0.71 | XDH (0.68) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL8723354 | 0.71 | XDH (0.68) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL4492932 | 0.70 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL9092090 | 0.69 | HIF1A (0.42) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL6648245 | 0.69 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL30874660 | 0.69 | COXFA4 (0.53) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL7738844 | 0.69 | HIF1A (0.58) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| Acetic Acid SCHEMBL9092012 | 0.69 | HIF1A (0.42) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL9032911 | 0.68 | HIF1A (0.54) | HIF1AEPAS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5612323-A | ANTIISCHEMIC | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-03-18 | — | — | US | disclosed |