Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL19917163 | 0.79 | GPBAR1 (0.43) | CYP3A4CYP2C9CYP2C19GPBAR1ALDH1A1 | |
| SCHEMBL21138207 | 0.76 | TDP1 (0.53) | CYP3A4ALDH1A1TDP1KMT2ASLC6A2 | |
| SCHEMBL21581145 | 0.73 | TRPM8 (0.39) | CYP2C9CYP2C19ALDH1A1KMT2ALMNA | |
| SCHEMBL19917138 | 0.72 | ALDH1A1 (0.46) | CYP3A4GPBAR1ALDH1A1TDP1KMT2A | |
| SCHEMBL16943479 | 0.70 | LMNA (0.53) | CYP3A4CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL14092284 | 0.70 | ALDH1A1 (0.55) | CYP3A4CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL28085540 | 0.70 | ALDH1A1 (0.55) | CYP3A4CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL19917021 | 0.70 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19GPBAR1ALDH1A1 | |
| SCHEMBL22644346 | 0.70 | HTR2C (0.45) | GPBAR1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL22633160 | 0.70 | HTR2C (0.45) | GPBAR1TDP1KMT2ASLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018038265-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2018-03-01 | — | — | WO | disclosed |