Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4780171 | 0.85 | SLC6A2 (0.55) | CYP2D6CYP3A4AKR1C3AKR1C2SLC6A2 | |
| SCHEMBL7389434 | 0.85 | SLC6A2 (0.55) | CYP2D6CYP3A4AKR1C3AKR1C2SLC6A2 | |
| SCHEMBL4778619 | 0.85 | SLC6A2 (0.55) | CYP2D6CYP3A4AKR1C3AKR1C2SLC6A2 | |
| SCHEMBL30859633 | 0.79 | CYP1A2 (0.43) | CYP2D6CYP1A2AKR1B1CYP2C19ALDH1A1 | |
| SCHEMBL4779691 | 0.76 | ROCK2 (0.52) | CYP1A2CYP2C19ALDH1A1HPGDHTT | |
| SCHEMBL31344396 | 0.76 | ROCK2 (0.52) | CYP1A2CYP2C19ALDH1A1HPGDHTT | |
| SCHEMBL31344399 | 0.76 | ROCK2 (0.52) | CYP1A2CYP2C19ALDH1A1HPGDHTT | |
| SCHEMBL4773164 | 0.76 | ROCK2 (0.52) | CYP1A2CYP2C19ALDH1A1HPGDHTT | |
| SCHEMBL22614679 | 0.76 | ROCK2 (0.52) | CYP1A2CYP2C19ALDH1A1HPGDHTT | |
| SCHEMBL197934 | 0.75 | CYP2C19 (0.57) | CYP2D6CYP2C19CPN1CPB2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3186267-A1 | AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES | Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016029888-A1 | AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES | USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) | 2016-03-03 | — | — | WO | disclosed |