Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10769977 | 0.84 | CNR2 (0.42) | CNR2CNR1KDM4EALDH1A1HPGD | |
| SCHEMBL20853207 | 0.81 | KDM4E (0.40) | CNR2CNR1KDM4EALDH1A1HPGD | |
| SCHEMBL12095306 | 0.79 | PTPN1 (0.42) | CNR2CNR1KDM4EALDH1A1HPGD | |
| SCHEMBL31229334 | 0.78 | CNR2 (0.51) | CNR2CNR1KDM4EALDH1A1HPGD | |
| SCHEMBL10450091 | 0.78 | CNR2 (0.51) | CNR2CNR1KDM4EALDH1A1HPGD | |
| SCHEMBL6060597 | 0.76 | CNR2 (0.52) | CNR2CNR1KDM4EALDH1A1HPGD | |
| SCHEMBL16405013 | 0.76 | CNR2 (0.38) | CNR2CNR1TLR8PTPN1MAPT | |
| SCHEMBL11784742 | 0.75 | CNR2 (0.36) | CNR2CNR1KDM4EALDH1A1HPGD | |
| SCHEMBL1518894 | 0.74 | CNR2 (0.41) | CNR2CNR1KDM4EALDH1A1HPGD | |
| Tridecane SCHEMBL8036309 | 0.73 | GPR3 (0.64) | CNR2CNR1KDM4EALDH1A1HPGD |
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-2019014308-A1 | 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |