Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | STK17B | O94768 | 1/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | FPR3 | P25089 | 2/20 | 0.39 |
| ▸ | FPR2 | P25090 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CKS1B | P61024 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2408680 | 0.91 | HTT (0.41) | HTTNPSR1STK17BSTK17AALDH1A1 | |
| SCHEMBL18764720 | 0.89 | CDC7 (0.43) | HTTNPSR1STK17BSTK17AALDH1A1 | |
| SCHEMBL24823221 | 0.87 | PDPK1 (0.46) | NPSR1STK17BSTK17AALDH1A1GFER | |
| SCHEMBL2409382 | 0.83 | SYK (0.46) | HTTNPSR1CYP3A4CKS1BSKP1 | |
| SCHEMBL28861563 | 0.83 | STK17B (0.45) | HTTNPSR1STK17BSTK17AALDH1A1 | |
| SCHEMBL28231790 | 0.82 | STK17B (0.47) | HTTNPSR1STK17BSTK17AALDH1A1 | |
| SCHEMBL2411774 | 0.80 | ALDH1A1 (0.43) | HTTNPSR1STK17BSTK17AALDH1A1 | |
| SCHEMBL13412473 | 0.78 | NPSR1 (0.40) | NPSR1ALDH1A1 | |
| SCHEMBL19990403 | 0.77 | PDPK1 (0.47) | STK17BSTK17AGFERFPR3FPR2 | |
| SCHEMBL18764781 | 0.77 | SLC40A1 (0.59) | — |
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-2011106627-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-09-01 | — | — | WO | disclosed |