Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.48 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3338 | 0.97 | — | — | |
| SCHEMBL29928074 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL9578178 | 0.95 | TAAR1 (0.50) | TSHRACHETAAR1PDCD1CD274 | |
| Bromide SCHEMBL27700459 | 0.95 | TAAR1 (0.50) | TSHRACHETAAR1PDCD1CD274 | |
| Water SCHEMBL809420 | 0.95 | TAAR1 (0.50) | TSHRACHETAAR1PDCD1CD274 | |
| Ammonia Solution, Strong SCHEMBL7943190 | 0.92 | TAAR1 (0.48) | TSHRACHETAAR1PDCD1CD274 | |
| Methane SCHEMBL17220519 | 0.92 | TAAR1 (0.48) | TSHRACHETAAR1PDCD1CD274 | |
| Alcohol SCHEMBL3319612 | 0.90 | TAAR1 (0.46) | TSHRACHETAAR1PDCD1CD274 | |
| Methylene Chloride SCHEMBL29159187 | 0.90 | TAAR1 (0.46) | TSHRACHETAAR1PDCD1CD274 | |
| Chloroform SCHEMBL11407017 | 0.88 | TAAR1 (0.45) | TSHRACHETAAR1PDCD1CD274 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114524715-B | Directional hydrogenation method for carbonyl compound | 河北工业大学 | 2023-10-13 | — | — | CN | disclosed |
| CN-114524715-A | Method for directionally hydrogenating carbonyl compound | 河北工业大学 | 2022-05-24 | — | — | CN | disclosed |
| EP-1485470-A2 | USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED MONOCYCLIC AROMATIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2004-12-15 | — | — | EP | disclosed |
| WO-2003014368-A2 | USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED MONOCYCLIC AROMATIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2003-02-20 | — | — | WO | disclosed |