Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | FPR1 | P21462 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18618863 | 0.87 | DHFR (0.53) | DHFRMAPTMPOMEN1NPC1 | |
| SCHEMBL18618864 | 0.87 | DHFR (0.52) | DHFRMPOMEN1MAPK1KMT2A | |
| SCHEMBL20515400 | 0.87 | DHFR (0.52) | DHFRMPOMEN1MAPK1KMT2A | |
| SCHEMBL20672109 | 0.84 | MAPT (0.44) | LMNAMAPTMPOKDM4EMEN1 | |
| SCHEMBL20515403 | 0.84 | MPO (0.54) | DHFRADCY10MAPTMPOMEN1 | |
| SCHEMBL18620547 | 0.84 | MPO (0.54) | DHFRADCY10MAPTMPOMEN1 | |
| SCHEMBL20515396 | 0.83 | MPO (0.47) | DHFRGSK3BLMNAMAPTMPO | |
| SCHEMBL18618821 | 0.83 | MPO (0.47) | DHFRGSK3BLMNAMAPTMPO | |
| SCHEMBL18586823 | 0.82 | MPO (0.50) | GSK3BLMNAMAPTMPOKDM4E | |
| SCHEMBL18586819 | 0.82 | MPO (0.50) | GSK3BLMNAMAPTMPOKDM4E |
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 |