Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL2320538 | 0.82 | MAOA (0.40) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL17054682 | 0.78 | SLC6A2 (0.33) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL2646076 | 0.77 | CYP19A1 (0.41) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL10814069 | 0.76 | MAOA (0.43) | MAOAMAOBCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL8775127 | 0.74 | CA2 (0.41) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL8688588 | 0.74 | DRD2 (0.51) | TSHRMAOAMAOBENPP2KDM1A | |
| SCHEMBL5958188 | 0.73 | GRIA1 (0.49) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL9493475 | 0.73 | CA2 (0.36) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL2503454 | 0.72 | CA2 (0.69) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL45942 | 0.72 | CA2 (0.69) | CYP2A6CA2ALDH1A1CA12CA3 |
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-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |