Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL1087492 | 0.91 | TAAR1 (0.39) | TAAR1GABRA1GABRB2NOS3NOS2 | |
| SCHEMBL169506 | 0.88 | GABRA1 (0.48) | TAAR1GABRA1GABRB2NOS3NOS2 | |
| SCHEMBL3258673 | 0.88 | GABRA1 (0.48) | TAAR1GABRA1GABRB2NOS3NOS2 | |
| SCHEMBL28493061 | 0.87 | CYSLTR2 (0.40) | TAAR1CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL20737947 | 0.87 | TAAR1 (0.61) | TAAR1NOS3NOS2 | |
| SCHEMBL9787756 | 0.86 | GABRA1 (0.46) | TAAR1GABRA1GABRB2NOS3NOS2 | |
| Methylamine SCHEMBL27931104 | 0.86 | GABRA1 (0.46) | TAAR1GABRA1GABRB2NOS3NOS2 | |
| Ammonia Solution, Strong SCHEMBL7055042 | 0.86 | GABRA1 (0.46) | TAAR1GABRA1GABRB2NOS3NOS2 | |
| Ammonia Solution, Strong SCHEMBL150658 | 0.86 | GABRA1 (0.46) | TAAR1GABRA1GABRB2NOS3NOS2 | |
| SCHEMBL9839949 | 0.84 | NOS2 (0.42) | TAAR1GABRA1GABRB2NOS2CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0290050-B1 | METHOD FOR PRODUCING ALKYLSTYRENE | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1991-08-21 | — | — | EP | disclosed |
| US-5026939-A | Cracking 1,2-di(4-isobutylphenyl)ethane in contact with acid catalyst | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1991-06-25 | — | — | US | disclosed |
| EP-0290050-A1 | Method for producing alkylstyrene | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1988-11-09 | — | — | EP | disclosed |