Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL18279758 | 1.00 | CHRM2 (0.36) | CHRM2CHRM4CHRM3CHRNB2CHRNB4 | |
| SCHEMBL20329689 | 0.86 | CHRNB2 (0.35) | CHRM2CHRM4CHRM3CHRNB2CHRNB4 | |
| SCHEMBL229332 | 0.85 | CHRM2 (0.42) | CHRM2CHRM4CHRM3CHRNB2CHRNB4 | |
| SCHEMBL13185434 | 0.85 | CHRM2 (0.42) | CHRM2CHRM4CHRM3CHRNB2CHRNB4 | |
| SCHEMBL229333 | 0.85 | CHRM2 (0.42) | CHRM2CHRM4CHRM3CHRNB2CHRNB4 | |
| SCHEMBL17008186 | 0.82 | CA1 (0.35) | — | |
| SCHEMBL19892314 | 0.81 | EPHX1 (0.39) | CHRM2CHRM4CHRM3CHRNB2CHRNB4 | |
| SCHEMBL31446438 | 0.79 | — | — | |
| SCHEMBL31285368 | 0.79 | — | — | |
| SCHEMBL8226501 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3104705-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-03 | — | — | EP | disclosed |