Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8020201 | 0.80 | CYP1A2 (0.43) | CHRM2CHRM4CHRM3TSHRHTT | |
| SCHEMBL27507238 | 0.80 | CHRM2 (0.40) | CHRM2CHRM4CHRM3TSHRHTT | |
| SCHEMBL8020205 | 0.80 | CYP1A2 (0.43) | CHRM2CHRM4CHRM3TSHRHTT | |
| SCHEMBL7718731 | 0.80 | CYP1A2 (0.43) | CHRM2CHRM4CHRM3TSHRHTT | |
| SCHEMBL8648081 | 0.78 | CHRM2 (0.39) | CHRM2CHRM4CHRM3TSHRHTT | |
| SCHEMBL17340984 | 0.78 | CHRM2 (0.39) | CHRM2CHRM4CHRM3TSHRHTT | |
| SCHEMBL7199227 | 0.74 | CYP1A2 (0.42) | CHRM2CHRM4CHRM3TSHRHTT | |
| SCHEMBL8999987 | 0.73 | CYP1A2 (0.45) | CHRM2CHRM4CHRM3TSHRHTT | |
| SCHEMBL9000000 | 0.73 | CYP1A2 (0.45) | CHRM2CHRM4CHRM3TSHRHTT | |
| SCHEMBL8999992 | 0.73 | CYP1A2 (0.45) | CHRM2CHRM4CHRM3TSHRHTT |
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-1322596-B1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2007-08-15 | — | — | EP | disclosed |