Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | DRD3 | P35462 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.57 |
| ▸ | CASR | P41180 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL19381379 | 0.85 | HTR2A (0.54) | CYP3A4SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL19381023 | 0.82 | HRH1 (0.52) | CYP3A4MPOHTR2AHRH1EPX | |
| SCHEMBL19380918 | 0.80 | MPO (0.67) | CYP3A4KCNH2KMT2AMEN1MPO | |
| SCHEMBL19359415 | 0.79 | CYP3A4 (0.50) | CYP3A4OPRM1LMNAHTR1AADORA3 | |
| SCHEMBL19380991 | 0.79 | MPO (0.43) | CYP3A4SLC6A4MPOHTR2AHRH1 | |
| SCHEMBL19359257 | 0.77 | EPHX2 (0.60) | CYP3A4LMNACYP2C19KMT2AMEN1 | |
| SCHEMBL19359262 | 0.77 | PKM (0.45) | CYP3A4LMNATBXA2RALDH1A1HTT | |
| SCHEMBL19380989 | 0.77 | PKM (0.45) | CYP3A4LMNATBXA2RALDH1A1HTT | |
| SCHEMBL19381378 | 0.77 | EPHX2 (0.60) | CYP3A4LMNACYP2C19KMT2AMEN1 | |
| SCHEMBL19381435 | 0.77 | MPO (0.44) | CYP3A4SLC6A4MPOEPXTPO |
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-2017161145-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-21 | — | — | WO | disclosed |