Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HTR6 | P50406 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL9398424 | 0.94 | SIGMAR1 (0.68) | SIGMAR1SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL10643080 | 0.91 | SIGMAR1 (0.67) | SIGMAR1SLC6A4SLC6A2SLC6A3HTR6 | |
| SCHEMBL2256688 | 0.88 | SIGMAR1 (0.59) | SIGMAR1SLC6A4SLC6A2KCNH2KDM4E | |
| SCHEMBL1888148 | 0.83 | SIGMAR1 (0.72) | SIGMAR1SLC6A4SLC6A2HTR6KDM4E | |
| SCHEMBL29478520 | 0.83 | SIGMAR1 (0.72) | SIGMAR1SLC6A4SLC6A2HTR6KDM4E | |
| Hydrochloric Acid SCHEMBL4819656 | 0.82 | SIGMAR1 (0.70) | SIGMAR1HTR6KDM4EALDH1A1CYP2C9 | |
| SCHEMBL28742033 | 0.82 | SIGMAR1 (0.56) | SIGMAR1SLC6A4SLC6A3HTR1AHRH3 | |
| SCHEMBL8411258 | 0.81 | SLC6A3 (0.73) | SIGMAR1SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL12879708 | 0.81 | HRH3 (0.73) | SIGMAR1SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL9397221 | 0.81 | SIGMAR1 (0.56) | SIGMAR1SLC6A4SLC6A3HTR1AHRH3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5340811-A | Bronchodilator agent | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1994-08-23 | — | — | US | disclosed |
| EP-0250361-B1 | Disubstituted piperazines | CIBA GEIGY AG (CH) | 1993-12-08 | — | — | EP | disclosed |
| EP-0471841-A1 | SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1992-02-26 | — | — | EP | disclosed |
| US-4804661-A | ANALGESICS | CIBA-GEIGY CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| EP-0250361-A2 | Disubstituted piperazines | CIBA-GEIGY AG (CH) | 1987-12-23 | — | — | EP | disclosed |