Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.42 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.42 |
| ▸ | BID | P55957 | 3/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.42 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.42 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.42 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.42 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5499255 | 0.96 | TAAR1 (0.58) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL475603 | 0.96 | TAAR1 (0.58) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29981544 | 0.96 | TAAR1 (0.58) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Butane SCHEMBL28500537 | 0.93 | TAAR1 (0.56) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31498542 | 0.93 | TAAR1 (0.56) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL28213899 | 0.93 | TAAR1 (0.56) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL10539792 | 0.93 | TAAR1 (0.56) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Acetic Acid SCHEMBL8583610 | 0.92 | CTBP2 (0.49) | TAAR1LIPGCTBP2CYSLTR2CYSLTR1 | |
| Phenol SCHEMBL27654238 | 0.92 | TAAR1 (0.47) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Propanol SCHEMBL27937726 | 0.92 | TAAR1 (0.50) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3011058-A | — | — | None | — | — | JP | disclosed |
| JP-H0311058-A | PRODUCTION OF SEC-BUTYLTOLUENE HYDROPEROXIDE | MITSUI PETROCHEM IND LTD | 1991-01-18 | — | — | JP | disclosed |