Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 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 | |
|---|---|---|---|---|
| SCHEMBL26926825 | 0.74 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL29303217 | 0.73 | CHRM1 (0.34) | CHRM1 | |
| SCHEMBL27229468 | 0.71 | HRH4 (0.32) | — | |
| SCHEMBL29303102 | 0.71 | KCNH2 (0.31) | — | |
| SCHEMBL27802048 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL29304409 | 0.71 | CHRM1 (0.33) | CHRM1 | |
| SCHEMBL29303258 | 0.71 | ALOX5AP (0.38) | CHRM1 | |
| SCHEMBL544324 | 0.70 | KDM4E (0.37) | TGFBR1 | |
| SCHEMBL29303273 | 0.69 | CHRM1 (0.37) | CHRM1TGFBR1 | |
| SCHEMBL27229433 | 0.69 | PIM1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101687810-A | Bicyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL | 2010-03-31 | — | — | CN | disclosed |