Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 11/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
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 | 0.92 | MPO (0.56) | MPONPC1RAB9ACYP3A4 | |
| SCHEMBL18620305 | 0.81 | MPO (0.55) | MPOCYP3A4 | |
| SCHEMBL18620324 | 0.80 | MPO (0.53) | MPOCYP3A4 | |
| SCHEMBL18618819 | 0.80 | MPO (0.51) | MPONPC1RAB9ACYP3A4 | |
| SCHEMBL18620322 | 0.79 | MPO (0.59) | MPOTAAR1CYP3A4 | |
| SCHEMBL18618877 | 0.78 | MPO (0.55) | MPO | |
| SCHEMBL18618875 | 0.78 | MPO (0.55) | MPOTAAR1CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL18620320 | 0.77 | MPO (0.59) | MPONOS1ADORA2AADORA1CYP3A4 | |
| SCHEMBL18621228 | 0.76 | MPO (0.55) | MPOTAAR1CYP3A4 | |
| SCHEMBL18618928 | 0.76 | MPO (0.55) | MPO |
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 |