Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.44 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.44 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL28112840 | 0.98 | SLC6A1 (0.43) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Formic Acid Methyl Ester SCHEMBL28113365 | 0.89 | EED (0.38) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Formic Acid Methyl Ester SCHEMBL28113348 | 0.89 | TDP1 (0.35) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Tert-Butyl Formate SCHEMBL27907927 | 0.83 | TDP1 (0.42) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Tert-Butyl Formate SCHEMBL27916745 | 0.83 | TDP1 (0.42) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Formic Acid SCHEMBL28164474 | 0.82 | SLC6A1 (0.53) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL1489855 | 0.82 | — | — | |
| SCHEMBL640611 | 0.82 | — | — | |
| SCHEMBL1624245 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL17048462 | 0.80 | — | — |
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-106188027-A | Heteroaromatic analog derivative and the application in medicine thereof | 广东东阳光药业有限公司 | 2016-12-07 | — | — | CN | disclosed |