Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL12857 | 0.80 | ALDH1A1 (0.56) | TAAR1IDO1ACHECYP2D6CYP2C9 | |
| SCHEMBL12124993 | 0.79 | CYP2D6 (0.53) | TAAR1IDO1ACHECYP2D6CYP2C9 | |
| SCHEMBL10778632 | 0.78 | TAAR1 (0.50) | TAAR1IDO1ACHECYP2D6CYP2C9 | |
| SCHEMBL30698368 | 0.78 | TAAR1 (0.50) | TAAR1IDO1ACHECYP2D6CYP2C9 | |
| SCHEMBL24927879 | 0.77 | AOC3 (0.59) | TAAR1IDO1ACHECYP2D6CYP2C9 | |
| SCHEMBL12772089 | 0.77 | TAS2R14 (0.50) | TAAR1IDO1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12772084 | 0.77 | TAAR1 (0.48) | TAAR1IDO1ACHECYP2D6CYP2C9 | |
| SCHEMBL24758551 | 0.77 | TAAR1 (0.48) | TAAR1IDO1ACHECYP2D6CYP2C9 | |
| SCHEMBL19422033 | 0.77 | TAAR1 (0.48) | TAAR1IDO1ACHECYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL28584835 | 0.75 | IDO1 (0.48) | TAAR1IDO1ACHECYP2D6CYP2C9 |
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-2157078-B1 | Fluorine compound and fluorinating agent comprising the compound | MITSUBISHI GAS CHEMICAL CO (JP) | 2012-03-14 | — | — | EP | disclosed |
| EP-2157078-A1 | Fluorine compound and fluorinating agent comprising the compound | Mitsubishi Gas Chemical Company, Inc. (JP) | 2010-02-24 | — | — | EP | disclosed |