Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | MC5R | P33032 | 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 | |
|---|---|---|---|---|
| SCHEMBL23734246 | 0.75 | CYP1A2 (0.59) | CYP1A2CYP2A6BCHEHTR2AHTR2C | |
| SCHEMBL22728363 | 0.75 | RIPK1 (0.40) | CYP1A2CYP2D6ATM | |
| SCHEMBL22728398 | 0.73 | PNMT (0.43) | PYCR1ATM | |
| SCHEMBL27962086 | 0.73 | CYP1A2 (0.55) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL19341333 | 0.72 | CYP2A6 (0.59) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL22728291 | 0.72 | LMNA (0.37) | PYCR1 | |
| SCHEMBL22728328 | 0.71 | HTR2A (0.47) | HTR2AHTR2CHTR2BSIGMAR1SLC6A4 | |
| SCHEMBL10931487 | 0.71 | CYP1A2 (0.41) | CYP1A2CYP2A6BCHEHTR2AHTR2C | |
| SCHEMBL10914831 | 0.71 | HRH3 (0.38) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| Ammonia Solution, Strong SCHEMBL27962083 | 0.71 | CYP2A6 (0.57) | CYP1A2CYP2A6HTR2AHTR2CHTR2B |
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-2020243027-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | SAGE THERAPEUTICS, INC. (US) | 2020-12-03 | — | — | WO | disclosed |