Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | RET | P07949 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22950722 | 0.89 | CES1 (0.44) | CES1HTR2ARETHRH1NOS3 | |
| SCHEMBL11761027 | 0.86 | MAOB (0.37) | CES1HTR2AHRH1L3MBTL1TDP1 | |
| SCHEMBL11761032 | 0.86 | MAOB (0.37) | CES1HTR2AHRH1L3MBTL1TDP1 | |
| SCHEMBL11757303 | 0.85 | BCHE (0.37) | CES1HTR2ARETHTTSMN1; SMN2 | |
| SCHEMBL11757306 | 0.85 | BCHE (0.37) | CES1HTR2ARETHTTSMN1; SMN2 | |
| SCHEMBL11757310 | 0.81 | CES1 (0.47) | CES1RETNOS3L3MBTL1TDP1 | |
| SCHEMBL11755077 | 0.77 | HRH1 (0.53) | CES1HTR2ARETHRH1CYP1A2 | |
| SCHEMBL11761593 | 0.77 | CYP3A4 (0.57) | CES1HTR2ARETHRH1L3MBTL1 | |
| SCHEMBL11755014 | 0.74 | CYP3A4 (0.50) | CES1HTR2ARETHRH1L3MBTL1 | |
| SCHEMBL11757138 | 0.74 | CES1 (0.40) | CES1HTR2ARETHRH1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4003915-A | ANTICONVULSANTS, PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1977-01-18 | — | — | US | disclosed |