Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.74 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.69 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.53 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 1/20 | 0.50 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
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 SCHEMBL28504266 | 0.99 | HRH3 (0.72) | HRH3SIGMAR1MAOAMAOBSLC6A4 | |
| SCHEMBL9320418 | 0.94 | SIGMAR1 (0.77) | HRH3SIGMAR1MAOAMAOBSLC6A4 | |
| Hydrochloric Acid SCHEMBL14486598 | 0.92 | SIGMAR1 (0.75) | HRH3SIGMAR1MAOAMAOBSLC6A4 | |
| SCHEMBL29356024 | 0.86 | HRH3 (1.00) | HRH3SIGMAR1MAOAMAOBSLC6A4 | |
| SCHEMBL9397176 | 0.85 | CXCR4 (0.71) | HRH3SIGMAR1MEN1CHRM2CHRM1 | |
| SCHEMBL11156977 | 0.84 | HRH3 (0.96) | HRH3SIGMAR1MAOAMAOBSLC6A4 | |
| SCHEMBL22254774 | 0.83 | HRH3 (0.72) | HRH3SIGMAR1SLC6A4KCNJ1KCNH2 | |
| SCHEMBL29283196 | 0.82 | SIGMAR1 (0.59) | HRH3SIGMAR1 | |
| SCHEMBL8828170 | 0.82 | SIGMAR1 (0.61) | SIGMAR1SLC6A4SMPD1 | |
| SCHEMBL5752571 | 0.80 | KCNH2 (0.64) | HRH3SIGMAR1MAOASLC6A4KCNJ1 |
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-107304204-B | Method for preparing N-heterocyclic compound | 广东东阳光药业有限公司 | 2020-12-22 | — | — | CN | disclosed |
| US-5340811-A | Bronchodilator agent | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1994-08-23 | — | — | US | disclosed |
| EP-0471841-A1 | SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1992-02-26 | — | — | EP | disclosed |