Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.37 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.37 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10615013 | 0.86 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL1035792 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL29956504 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL29953294 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| Hydrochloric Acid SCHEMBL15572481 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL28840985 | 0.78 | CHRNB2 (0.37) | SLC6A2SLC6A3CA2CHKACHRNB2 | |
| SCHEMBL28551752 | 0.74 | GABRA5 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL21555626 | 0.74 | GABRA5 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL2444480 | 0.74 | ALDH1A1 (0.43) | SLC6A2SLC6A3CA2CHKASLC6A4 | |
| SCHEMBL17100538 | 0.71 | CA2 (0.56) | CA2CHKACHRNB2CHRNA3CHRNA4 |
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-106397418-A | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | ABBVIE公司 | 2017-02-15 | — | — | CN | disclosed |