Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16110536 | 0.83 | NPC1 (0.53) | KCNH2HRH3ERN1CYP3A4CYP2C9 | |
| SCHEMBL18526967 | 0.81 | HPGD (0.52) | TTKERN1CYP19A1CYP2A6HSP90AA1 | |
| SCHEMBL23016380 | 0.79 | CYP19A1 (0.58) | KCNH2HRH3CYP19A1CYP2A6CYP3A4 | |
| SCHEMBL16829469 | 0.79 | ESR1 (0.63) | KCNH2HRH3CYP19A1CYP2A6HSP90AA1 | |
| SCHEMBL19737512 | 0.79 | CYP2A6 (0.57) | KCNH2HRH3CYP19A1CYP2A6CYP3A4 | |
| SCHEMBL23016379 | 0.77 | CYP11B2 (0.69) | KCNH2HRH3CYP19A1CYP2A6CYP3A4 | |
| SCHEMBL31565814 | 0.76 | NPC1 (0.65) | CYP19A1CYP2A6HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL30804561 | 0.76 | NPC1 (0.65) | CYP19A1CYP2A6HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL2722439 | 0.76 | NPC1 (0.65) | CYP19A1CYP2A6HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL23016428 | 0.76 | CYP11B2 (0.58) | KCNH2HRH3CYP19A1CYP2A6PTK2 |
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-2017217439-A1 | THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF | 国立大学法人東京大学 | 2017-12-21 | — | — | WO | disclosed |