Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CKS1B | P61024 | 1/20 | 0.56 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | CCR6 | P51684 | 1/20 | 0.54 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14130672 | 0.88 | CA12 (0.54) | ALDH1A1CYP1A2CYP3A4HPGDCA12 | |
| SCHEMBL6274539 | 0.84 | HPGD (0.56) | ALDH1A1CYP1A2CYP3A4HPGDTP53 | |
| SCHEMBL16687963 | 0.81 | CA12 (0.58) | ALDH1A1CYP1A2CYP3A4HPGDTP53 | |
| SCHEMBL8409449 | 0.81 | CA12 (0.59) | ALDH1A1CYP1A2CYP3A4HPGDTP53 | |
| SCHEMBL11252769 | 0.80 | HKDC1 (0.60) | ALDH1A1ALOX15CKS1BSKP2HSD17B10 | |
| SCHEMBL12199135 | 0.80 | CA1 (0.68) | ALDH1A1CYP1A2CYP3A4HPGDCA12 | |
| SCHEMBL8326087 | 0.79 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP3A4HPGDTP53 | |
| SCHEMBL274513 | 0.76 | CA1 (0.68) | ALDH1A1CYP1A2CYP3A4HPGDCA12 | |
| SCHEMBL6274720 | 0.76 | CCR6 (0.48) | ALDH1A1CYP1A2CYP3A4HPGDTP53 | |
| SCHEMBL1515780 | 0.76 | CA12 (0.68) | ALDH1A1CYP1A2CYP3A4HPGDTP53 |
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-1863755-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES | Merck & Co., Inc. (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006102067-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES | MERCK & CO., INC. (US) | 2006-09-28 | — | — | WO | disclosed |