Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21680811 | 0.92 | — | — | |
| SCHEMBL21680772 | 0.87 | — | — | |
| SCHEMBL27523822 | 0.78 | SHBG (0.41) | ALDH1A1HSD17B10EPHX1SHBGHTT | |
| SCHEMBL21958302 | 0.73 | CA12 (0.32) | ALDH1A1HSD17B10CA12CA1CA2 | |
| SCHEMBL18629040 | 0.71 | EPHX1 (0.40) | ALDH1A1HSD17B10CA12CA1CA2 | |
| SCHEMBL21958303 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CA12CA1EPHX1 | |
| SCHEMBL21958304 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CA12CA1EPHX1 | |
| SCHEMBL21567116 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CA12CA1EPHX1 | |
| SCHEMBL5372240 | 0.70 | — | — | |
| SCHEMBL1762522 | 0.69 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101146795-A | Pyrazole derivatives for the inhibition of CDK and GSK | ASTEX THERAPEUTICS LTD (GB) | 2008-03-19 | — | — | CN | disclosed |
| US-4260562-A | HYDROGENATION OF A KETOXIME, PLATINUM, MINERAL ACID | BASF AKTIENGESELLSCHAFT (DE) | 1981-04-07 | — | — | US | disclosed |