Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CKS1B | P61024 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8325834 | 0.80 | NPC1 (0.43) | ALDH1A1TP53HPGDALOX15HSD17B10 | |
| SCHEMBL8321963 | 0.76 | CA12 (0.39) | ALDH1A1TP53CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6260897 | 0.76 | NAMPT (0.39) | ALDH1A1TP53SIRT2SIRT1NAMPT | |
| SCHEMBL8325953 | 0.74 | PTGER1 (0.47) | ALDH1A1HPGDRXRANR1H2HDAC1 | |
| SCHEMBL14966328 | 0.72 | HDAC1 (0.50) | ALDH1A1CYP1A2CYP2C19HSD17B10CA12 | |
| SCHEMBL4277492 | 0.71 | ATR (0.40) | ALDH1A1CSNK2A1KMT2A | |
| SCHEMBL13891334 | 0.71 | PLK1 (0.51) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL2207588 | 0.71 | CYP4A11 (0.60) | ALDH1A1CYP2C9CYP2C19CA12CA1 | |
| SCHEMBL4212803 | 0.70 | SIRT2 (0.43) | ALDH1A1TP53CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7246822 | 0.70 | CA12 (0.48) | ALOX15CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733033-B1 | PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS | ZENECA LTD (GB) | 1999-12-22 | — | — | EP | disclosed |
| US-5811459-A | PAIN RELIEVERS | ZENECA LIMITED (GB) | 1998-09-22 | — | — | US | disclosed |