Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6475658 | 0.90 | GABRA5 (0.38) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL13832600 | 0.82 | — | — | |
| SCHEMBL13738542 | 0.82 | — | — | |
| SCHEMBL5457789 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL13738360 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL13740048 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9135214 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL29163766 | 0.80 | GABRA5 (0.53) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Trifluoroacetic Acid SCHEMBL20494145 | 0.80 | GABRA5 (0.53) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Trifluoroacetic Acid SCHEMBL28325251 | 0.80 | GABRA5 (0.53) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732636-B | Heteroaromatic compounds and their use in medicine | 广东东阳光药业有限公司 | 2020-04-21 | — | — | CN | disclosed |
| CN-105732636-A | Hetero-aromatic compounds and applications thereof in pharmacy | 广东东阳光药业有限公司 | 2016-07-06 | — | — | CN | disclosed |