Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22721167 | 0.98 | SLC6A4 (0.53) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 | |
| Hydrochloric Acid SCHEMBL29732569 | 0.98 | SLC6A4 (0.53) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 | |
| SCHEMBL11875197 | 0.80 | SLC6A4 (0.71) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 | |
| SCHEMBL13978832 | 0.79 | SLC6A4 (0.66) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 | |
| SCHEMBL22728501 | 0.78 | ALOX5 (0.51) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 | |
| Hydrochloric Acid SCHEMBL11877675 | 0.78 | SLC6A4 (0.69) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 | |
| Hydrochloric Acid SCHEMBL22721156 | 0.77 | ALOX5 (0.50) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 | |
| Hydrochloric Acid SCHEMBL29732447 | 0.77 | ALOX5 (0.50) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 | |
| SCHEMBL31172103 | 0.76 | SLC6A4 (0.61) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 | |
| SCHEMBL28359596 | 0.76 | SLC6A4 (0.61) | SLC6A4DRD2SLC6A2SLC6A3ALOX5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112010859-B | Fused ring compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2022-07-19 | — | — | CN | disclosed |
| WO-2020239073-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-03 | — | — | WO | disclosed |
| CN-112010859-A | Fused ring compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2020-12-01 | — | — | CN | disclosed |