Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18620321 | 0.83 | MPO (0.56) | MPOCYP3A4 | |
| SCHEMBL18620305 | 0.82 | MPO (0.55) | MPOCYP3A4 | |
| SCHEMBL18618819 | 0.81 | MPO (0.51) | MPOCYP3A4 | |
| SCHEMBL18620054 | 0.79 | MPO (0.60) | MPOCYP3A4TAAR1 | |
| SCHEMBL18620320 | 0.78 | MPO (0.59) | MPOCYP3A4 | |
| SCHEMBL18618877 | 0.76 | MPO (0.55) | MPO | |
| SCHEMBL18621228 | 0.76 | MPO (0.55) | MPOCYP1A2CYP3A4CYP2D6TAAR1 | |
| SCHEMBL18620324 | 0.76 | MPO (0.53) | MPOCYP3A4 | |
| SCHEMBL18618878 | 0.75 | MPO (0.56) | MPOCYP3A4 | |
| SCHEMBL18618875 | 0.74 | MPO (0.55) | MPOCYP3A4LTA4HTAAR1 |
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-2017040451-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |