Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL30069270 | 0.93 | CYP2C9 (0.58) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL9912721 | 0.93 | CYP2C9 (0.58) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL7852541 | 0.88 | ALDH1A1 (0.51) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL27645080 | 0.87 | CYP2C9 (0.50) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL4160377 | 0.80 | CA12 (0.57) | TLR8MAPTMEN1KMT2ANPC1 | |
| SCHEMBL28758391 | 0.79 | CYP2C9 (0.58) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL15786894 | 0.79 | AOC3 (0.44) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL15778559 | 0.79 | CCNT1 (0.43) | CYP1A2CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL30309946 | 0.79 | ROCK2 (0.48) | CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL15784043 | 0.79 | ROCK2 (0.48) | CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101875617-B | Carbamyl aromatic acid compound with alkoxy replacing aromatic ring, preparation method and application thereof | INST MATERIA MEDICA CAMS | 2015-05-20 | — | — | CN | disclosed |
| CN-102260187-B | Substituted carbamyl cyclohexane carboxylic acid compound as well as preparation method and application thereof | INST MATERIA MEDICA CAMS | 2015-04-15 | — | — | CN | disclosed |
| CN-101875617-A | Carbamyl aromatic acid compound with alkoxy replacing aromatic ring, preparation method and application thereof | INST MATERIA MEDICA CAMS | 2010-11-03 | — | — | CN | disclosed |