Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 11/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TPO | P07202 | 1/20 | 0.44 |
| ▸ | EPX | P11678 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18618819 | 0.91 | MPO (0.51) | MPOCYP3A4TPOEPX | |
| SCHEMBL18620305 | 0.86 | MPO (0.55) | MPOCYP3A4TPOEPX | |
| SCHEMBL18621228 | 0.83 | MPO (0.55) | MPOCYP3A4TPOEPXTAAR1 | |
| SCHEMBL18620324 | 0.83 | MPO (0.53) | MPOCYP3A4TPOEPX | |
| SCHEMBL18618945 | 0.83 | RAB9A (0.41) | MPOCYP3A4TPOEPXMEN1 | |
| SCHEMBL18618950 | 0.80 | MPO (0.56) | MPOLTA4HCYP11B1CYP11B2 | |
| SCHEMBL18618878 | 0.80 | MPO (0.56) | MPOCYP3A4TPOEPXKMT2A | |
| SCHEMBL18620054 | 0.78 | MPO (0.60) | MPOCYP3A4CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL18616406 | 0.78 | NOTUM (0.49) | MPOCYP3A4MEN1KMT2ACYP11B1 | |
| SCHEMBL18618877 | 0.78 | 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 |