Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALPI | P09923 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.32 |
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 | 0.82 | MPO (0.60) | MPOCYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19359405 | 0.76 | MPO (0.46) | MPOCYP3A4IDO1TDO2F2 | |
| SCHEMBL19381019 | 0.73 | MPO (0.47) | MPOCYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19380955 | 0.72 | MPO (0.46) | MPOCYP3A4EPHX1NPSR1HSD17B10 | |
| SCHEMBL19359217 | 0.72 | MPO (0.46) | MPOCYP3A4PDE4A | |
| SCHEMBL19381023 | 0.71 | HRH1 (0.52) | MPOCYP3A4 | |
| SCHEMBL19380978 | 0.69 | MPO (0.64) | MPOCYP3A4 | |
| SCHEMBL19380918 | 0.67 | MPO (0.67) | MPOCYP3A4 | |
| SCHEMBL3280996 | 0.67 | EPHX1 (0.50) | IDO1TDO2PPARGPPARACNR2 | |
| SCHEMBL19359428 | 0.65 | SLC6A2 (0.58) | MPOCYP3A4NPC1RAB9ASMN1; SMN2 |
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 |