Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | MIF | P14174 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2936984 | 0.98 | MAOA (0.50) | MAOAMAOBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8763914 | 0.88 | MAOA (0.39) | MAOAMAOBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7955538 | 0.88 | MMP12 (0.50) | MAOAMAOBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9751807 | 0.87 | NOS1 (0.47) | MAOAMAOBMIFHTR2ANOS1 | |
| SCHEMBL9751809 | 0.85 | MIF (0.47) | MAOAMAOBMIF | |
| SCHEMBL18792621 | 0.84 | NAAA (0.49) | MAOAMAOBMIF | |
| SCHEMBL18792583 | 0.84 | NAAA (0.49) | MAOAMAOBMIF | |
| SCHEMBL8762349 | 0.82 | MAOA (0.36) | MAOAMAOBCYP2D6ALDH1A1HPGD | |
| SCHEMBL8763910 | 0.79 | CYP1A1 (0.38) | MAOAMAOBCYP1A2ALDH1A1HPGD | |
| Benzyl Thiocyanate SCHEMBL27730692 | 0.76 | MAOB (0.48) | MAOAMAOBCYP1A2ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106102758-A | Kava-derived therapeutic compounds and methods of use thereof | 夸利蒂赫布丘蒂克斯公司 | 2016-11-09 | — | — | CN | disclosed |