Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 16/20 | 0.42 |
| ▸ | HTR2C | P28335 | 8/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708876 | 0.85 | ACHE (0.34) | HTR2AHTR2CACHE | |
| SCHEMBL21709148 | 0.78 | ACHE (0.35) | HTR2AHTR2CACHE | |
| SCHEMBL21708864 | 0.77 | HTR2A (0.33) | HTR2AHTR2CACHE | |
| SCHEMBL21709091 | 0.77 | TAAR1 (0.53) | HTR2AHTR2C | |
| SCHEMBL21709077 | 0.75 | CA12 (0.43) | HTR2AHTR2CSMN1; SMN2HTR2BACHE | |
| SCHEMBL21709269 | 0.74 | BCHE (0.39) | HTR2AACHE | |
| SCHEMBL21709074 | 0.73 | ATM (0.63) | SMN1; SMN2SLC2A1 | |
| SCHEMBL21709146 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL21709262 | 0.69 | P2RX3 (0.38) | OPRM1 | |
| SCHEMBL2780581 | 0.67 | SMN1; SMN2 (0.47) | SMN1; SMN2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |