Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11062059 | 1.00 | MAOA (0.53) | MAOAMAOBSPHK1CYP1A2CYP3A4 | |
| SCHEMBL11064284 | 0.98 | MAOA (0.51) | MAOAMAOBSPHK1CYP3A4HRH3 | |
| SCHEMBL10479657 | 0.98 | MAOA (0.51) | MAOAMAOBSPHK1CYP1A2CYP3A4 | |
| SCHEMBL10479654 | 0.98 | MAOA (0.51) | MAOAMAOBSPHK1CYP1A2CYP3A4 | |
| SCHEMBL11064280 | 0.98 | MAOA (0.51) | MAOAMAOBSPHK1CYP3A4HRH3 | |
| SCHEMBL10902275 | 0.96 | MAOA (0.47) | MAOAMAOBSPHK1CYP1A2CYP3A4 | |
| SCHEMBL10902280 | 0.96 | MAOA (0.47) | MAOAMAOBSPHK1CYP1A2CYP3A4 | |
| SCHEMBL11061549 | 0.95 | MAOA (0.49) | MAOAMAOBSPHK1CYP3A4HRH3 | |
| SCHEMBL9548157 | 0.95 | MAOA (0.49) | MAOAMAOBSPHK1CYP1A2CYP3A4 | |
| SCHEMBL9548153 | 0.95 | MAOA (0.49) | MAOAMAOBSPHK1CYP1A2CYP3A4 |
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-4439015-A | Disubstituted ethanes | HOFFMANN-LA ROCHE INC. (US) | 1984-03-27 | — | — | US | disclosed |