Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | CTRC | Q99895 | 1/20 | 0.53 |
| ▸ | PNMT | P11086 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPY1R | P25929 | 1/20 | 0.44 |
| ▸ | NPY2R | P49146 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8672403 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP2A6CTRCPNMTDRD2 | |
| SCHEMBL3302008 | 0.83 | PNMT (0.68) | CYP1A2CYP2A6PNMTCYP2C19CYP2C9 | |
| SCHEMBL599659 | 0.83 | CYP2C19 (0.62) | CYP1A2CYP2A6CTRCCYP2C19CYP2C9 | |
| SCHEMBL29490353 | 0.83 | CYP2C19 (0.62) | CYP1A2CYP2A6CTRCCYP2C19CYP2C9 | |
| SCHEMBL6337201 | 0.81 | PNMT (0.60) | CYP1A2PNMTCYP2C19CYP2C9TAAR1 | |
| SCHEMBL4667060 | 0.81 | CYP2C19 (0.60) | CYP1A2CTRCCYP2C19CYP2C9TAAR1 | |
| SCHEMBL659516 | 0.81 | CYP2C19 (0.60) | CYP1A2CTRCCYP2C19CYP2C9TAAR1 | |
| Hydrogen Sulfide SCHEMBL11348128 | 0.81 | CYP2C19 (0.60) | CYP1A2CTRCCYP2C19CYP2C9TAAR1 | |
| SCHEMBL659517 | 0.81 | CYP2C19 (0.60) | CYP1A2CTRCCYP2C19CYP2C9TAAR1 | |
| SCHEMBL11328087 | 0.81 | CYP2C19 (0.60) | CYP1A2CTRCCYP2C19CYP2C9TAAR1 |
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-0092738-B1 | PROCESS FOR THE CONTINUOUS THERMAL DECOMPOSITION OF CARBAMIC-ACID ESTERS | BAYER AG (DE) | 1985-07-24 | — | — | EP | disclosed |
| EP-0092738-A1 | Process for the continuous thermal decomposition of carbamic-acid esters | BAYER AG (DE) | 1983-11-02 | — | — | EP | disclosed |