Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.49 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 8/20 | 0.42 |
| ▸ | RAB9A | P51151 | 8/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18619961 | 0.76 | MPO (0.49) | MPONPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL18616406 | 0.76 | NOTUM (0.49) | NOTUMMPOCYP11B1CYP11B2NPC1 | |
| SCHEMBL18616410 | 0.75 | NOTUM (0.46) | NOTUMMPOCYP11B1CYP11B2NPC1 | |
| SCHEMBL18616401 | 0.75 | CYP2A6 (0.44) | MPOCYP11B1CYP11B2MAPTCYP2C19 | |
| SCHEMBL18618791 | 0.74 | MPO (0.55) | MPOCYP3A4 | |
| SCHEMBL1791868 | 0.71 | NOTUM (0.52) | NOTUMCYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL18616503 | 0.70 | CYP19A1 (0.50) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL1787674 | 0.70 | NOTUM (0.58) | NOTUMMPOCYP11B1CYP11B2NPC1 | |
| SCHEMBL28670401 | 0.69 | CYP11B1 (0.66) | NOTUMCYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL18616579 | 0.68 | NOS1 (0.36) | KCNH2MAPTGAACYP2D6 |
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 |