Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | HRH1 | P35367 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.52 |
| ▸ | MPO | P05164 | 11/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | EPX | P11678 | 2/20 | 0.40 |
| ▸ | TPO | P07202 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19380990 | 0.85 | CYP3A4 (0.57) | HTR2AHRH1SLC6A4MPOCYP3A4 | |
| SCHEMBL19380918 | 0.83 | MPO (0.67) | MPOCYP3A4KCNH2EPXTPO | |
| SCHEMBL19381023 | 0.82 | HRH1 (0.52) | HTR2AHRH1MPOCYP3A4HTR1B | |
| SCHEMBL19380991 | 0.82 | MPO (0.43) | HTR2AHRH1SLC6A4MPOCYP3A4 | |
| SCHEMBL19381378 | 0.80 | EPHX2 (0.60) | MPOCYP3A4 | |
| SCHEMBL19380989 | 0.80 | PKM (0.45) | MPOCYP3A4 | |
| SCHEMBL19359262 | 0.80 | PKM (0.45) | MPOCYP3A4 | |
| SCHEMBL19359257 | 0.80 | EPHX2 (0.60) | MPOCYP3A4 | |
| SCHEMBL19381435 | 0.80 | MPO (0.44) | SLC6A4MPOCYP3A4EPXTPO | |
| SCHEMBL19380978 | 0.78 | MPO (0.64) | MPOCYP3A4CYP2D6KCNH2TPO |
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 |