Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 8/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | TPO | P07202 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | EPX | P11678 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL19359271 | 0.86 | MPO (0.60) | MPOCYP3A4TPOEPHX1ANPEP | |
| SCHEMBL19380955 | 0.86 | MPO (0.46) | MPOCYP3A4TPOEPHX1SLC6A2 | |
| SCHEMBL19380978 | 0.81 | MPO (0.64) | MPOCYP3A4TPO | |
| SCHEMBL19381023 | 0.80 | HRH1 (0.52) | MPOCYP3A4TPOEPX | |
| SCHEMBL19381017 | 0.78 | MPO (0.50) | MPOCYP3A4TPOEPHX1EPX | |
| SCHEMBL19380918 | 0.78 | MPO (0.67) | MPOCYP3A4TPOEPX | |
| SCHEMBL19381379 | 0.76 | HTR2A (0.54) | MPOCYP3A4TPOSLC6A2SLC6A4 | |
| SCHEMBL19380982 | 0.73 | MPO (0.43) | MPOCYP3A4EPHX1ANPEPNPC1 | |
| SCHEMBL19380990 | 0.73 | CYP3A4 (0.57) | MPOCYP3A4TPOANPEPSLC6A2 | |
| SCHEMBL19359217 | 0.73 | MPO (0.46) | MPOCYP3A4SLC6A2SLC6A4 |
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 |