Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 2/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18617228 | 0.84 | KDM4E (0.42) | MAPTGAAKDM4EALDH1A1HDAC3 | |
| SCHEMBL18618791 | 0.79 | MPO (0.55) | CYP3A4MPO | |
| SCHEMBL18619961 | 0.78 | MPO (0.49) | CYP3A4MPO | |
| SCHEMBL18616409 | 0.75 | NOTUM (0.49) | CYP2C9CYP2C19CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL18586170 | 0.74 | CYP3A4 (0.41) | CYP2A6CYP2C9CYP2C19CYP2E1CYP2B6 | |
| SCHEMBL18617592 | 0.72 | KDM4E (0.32) | MAPTGAAKDM4E | |
| SCHEMBL18620067 | 0.69 | MPO (0.54) | CYP2C9CYP2C19CYP3A4MPO | |
| SCHEMBL19381375 | 0.69 | MPO (0.54) | MPO | |
| SCHEMBL18616378 | 0.69 | MPO (0.53) | CYP3A4MPO | |
| SCHEMBL18620558 | 0.69 | MPO (0.59) | MAPTGAAKDM4EMEN1ALDH1A1 |
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-2017040449-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |