Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.46 |
| ▸ | HTR7 | P34969 | 5/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14850872 | 0.81 | AKR1C3 (0.55) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL15478218 | 0.81 | TSHR (0.39) | S1PR1HTR7ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL27537379 | 0.79 | AKR1C3 (0.52) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL4231404 | 0.79 | AKR1C3 (0.52) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL27555994 | 0.79 | AKR1C3 (0.52) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL321430 | 0.78 | CA1 (0.55) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL2382031 | 0.78 | ESR2 (0.38) | APPALDH1A1HPGDMAPT | |
| SCHEMBL2091220 | 0.77 | HTR7 (0.54) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL16852245 | 0.76 | AKR1C3 (0.69) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL29788337 | 0.76 | CA1 (0.71) | HTR7APPCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1284942-A | matrix metalloproteinase inhibitors | PFIZER LTD (US) | 2001-02-21 | — | — | CN | disclosed |