Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.66 |
| ▸ | RAB9A | P51151 | 3/20 | 0.66 |
| ▸ | NPC1 | O15118 | 2/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 4/20 | 0.59 |
| ▸ | MAOB | P27338 | 4/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL52650 | 0.82 | ALDH1A1 (0.81) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL2223574 | 0.81 | ALDH1A1 (0.70) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL21835011 | 0.80 | CA12 (0.80) | ALDH1A1KDM4EPOLBHPGDGAA | |
| SCHEMBL51978 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL6836275 | 0.79 | ALDH1A1 (0.72) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL10419857 | 0.78 | ALDH1A1 (0.66) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL2034492 | 0.77 | ALDH1A1 (0.85) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL20918170 | 0.77 | ALDH1A1 (0.93) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL11219548 | 0.77 | ALDH1A1 (0.76) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL6258750 | 0.77 | CA12 (0.74) | ALDH1A1KDM4ERAB9ANPC1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006132947-A2 | 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF | TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2006-12-14 | — | — | WO | disclosed |