Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 2/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7669796 | 0.79 | ALDH1A1 (0.52) | EPHX2ALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL7669797 | 0.79 | ALDH1A1 (0.52) | EPHX2ALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL9450418 | 0.75 | KCNQ3 (0.33) | — | |
| SCHEMBL22872240 | 0.75 | ALDH1A1 (0.44) | EPHX2ALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL1298046 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL16433766 | 0.73 | ALDH1A1 (0.45) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL15127989 | 0.72 | ALDH1A1 (0.48) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL813586 | 0.72 | ALDH1A1 (0.48) | EPHX2ALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL2583177 | 0.72 | ALDH1A1 (0.48) | EPHX2ALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL2251674 | 0.72 | ALDH1A1 (0.48) | EPHX2ALDH1A1CHRM2CHRM4CHRM5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3054947-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054038-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |