Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | TEK | Q02763 | 2/20 | 0.42 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18586419 | 0.77 | CYP19A1 (0.48) | CYP19A1NPC1RAB9APTGS2HDAC1 | |
| SCHEMBL18616538 | 0.71 | MPO (0.45) | HDAC1 | |
| SCHEMBL18617253 | 0.71 | MPO (0.52) | CYP19A1NPC1RAB9A | |
| SCHEMBL18616409 | 0.70 | NOTUM (0.49) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL18617589 | 0.70 | MPO (0.53) | HDAC1 | |
| SCHEMBL18619961 | 0.69 | MPO (0.49) | NPC1RAB9A | |
| SCHEMBL18618791 | 0.69 | MPO (0.55) | — | |
| SCHEMBL18617530 | 0.68 | MPO (0.52) | CYP19A1HDAC1MEN1KMT2A | |
| SCHEMBL18620536 | 0.68 | MPO (0.64) | NPC1RAB9AHDAC1HDAC2MEN1 | |
| SCHEMBL935182 | 0.68 | CYP19A1 (1.00) | CYP19A1NPC1RAB9APTGS2HDAC1 |
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 |