Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.47 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.47 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.47 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953294 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL1035792 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| Hydrochloric Acid SCHEMBL15572481 | 0.98 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL10615013 | 0.96 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL28840987 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL16771733 | 0.82 | SLC6A2 (0.39) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL2881934 | 0.82 | SLC6A2 (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL6519388 | 0.82 | ADRA2C (0.39) | CYP2D6SLC6A2SLC6A3SLC6A4HTR2A | |
| SCHEMBL21555626 | 0.82 | GABRA5 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A1 | |
| SCHEMBL2442395 | 0.82 | ADRA2C (0.39) | CYP2D6SLC6A2SLC6A3SLC6A4HTR2A |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |