Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ANPEP | P15144 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL5282055 | 1.00 | CYP2A6 (0.50) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL25054694 | 0.84 | ALDH1A1 (0.50) | CYP2A6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10866492 | 0.83 | CNR2 (0.54) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL9770073 | 0.81 | BACE1 (0.56) | ANPEPCNR2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28251159 | 0.81 | ANPEP (0.53) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL29738643 | 0.81 | BACE1 (0.56) | ANPEPCNR2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17320919 | 0.80 | CYP1A2 (0.56) | CYP2A6CYP1A2BACE1TDP1ELANE | |
| SCHEMBL30417613 | 0.79 | CNR2 (0.59) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL423417 | 0.79 | CNR2 (0.59) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL9361517 | 0.78 | SLC6A4 (0.40) | ANPEPCNR2CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6884821-B1 | Carboxylic acid derivatives and drugs containing the same | EISAI CO., LTD. (JP) | 2005-04-26 | — | — | US | disclosed |