Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | AR | P10275 | 3/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ACP3 | P15309 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28776287 | 0.89 | CTSK (0.37) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL909422 | 0.85 | CCR1 (0.35) | ARMC4RHSD11B1SLC6A4ACP3 | |
| SCHEMBL3695512 | 0.85 | CCR1 (0.35) | ARMC4RHSD11B1SLC6A4ACP3 | |
| SCHEMBL720614 | 0.80 | ACP3 (0.39) | ARMC4RSMN1; SMN2SLC6A4ACP3 | |
| SCHEMBL194438 | 0.80 | ACP3 (0.36) | ARMC4RHSD11B1SLC6A4ACP3 | |
| SCHEMBL23169003 | 0.80 | CYSLTR2 (0.41) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19292942 | 0.78 | CYSLTR2 (0.40) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL9232277 | 0.78 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL31036078 | 0.78 | ESR1 (0.36) | TSHRMAPTCNR2P2RX7 | |
| SCHEMBL16442414 | 0.78 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
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-2010098496-A1 | PROCESS FOR PRODUCING TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |