Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6107814 | 0.82 | HCAR2 (0.54) | ALDH1A1MAPT | |
| SCHEMBL17202799 | 0.80 | EPHX2 (0.48) | EPHX2ALDH1A1MAPT | |
| SCHEMBL314057 | 0.77 | GPR119 (0.59) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL9558248 | 0.76 | MAPK1 (0.58) | — | |
| SCHEMBL18135536 | 0.76 | KCNA5 (0.64) | EPHX2ALDH1A1CHRM3 | |
| Hydrochloric Acid SCHEMBL11350175 | 0.76 | EPHX2 (0.50) | EPHX2ALDH1A1CHRM2CHRM4CHRM1 | |
| SCHEMBL21528055 | 0.76 | MEN1 (0.51) | CHRM2CHRM4CHRM1CHRM3ACKR3 | |
| SCHEMBL14525000 | 0.75 | ALDH1A1 (0.57) | ALDH1A1MAPT | |
| SCHEMBL29132198 | 0.75 | MEN1 (0.58) | CHRM2CHRM4CHRM1CHRM3ACKR3 | |
| SCHEMBL30576825 | 0.75 | CHRM2 (0.52) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 |
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-3134408-A1 | FACTOR XIa INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-03-01 | — | — | EP | disclosed |
| WO-2015164308-A1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-29 | — | — | WO | disclosed |