Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL104186 | 0.95 | SIGMAR1 (0.51) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL104187 | 0.95 | SIGMAR1 (0.51) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL104699 | 0.95 | SIGMAR1 (0.51) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL27966160 | 0.94 | SIGMAR1 (0.50) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15093677 | 0.87 | HRH3 (0.46) | SIGMAR1CYP2C19MAPTHRH2 | |
| Pyridine SCHEMBL28167226 | 0.86 | TP53 (0.44) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL2915951 | 0.84 | PDK1 (0.46) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19281788 | 0.83 | HTR1A (0.42) | SIGMAR1SLC6A2SLC6A4SLC6A3HTR2C | |
| SCHEMBL17460241 | 0.83 | HTR1A (0.42) | SIGMAR1SLC6A2SLC6A4SLC6A3HTR2C | |
| Tert-Butyl Formate SCHEMBL27994114 | 0.82 | CYP2C19 (0.43) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5849746-A | Substituted 1,4-piperazine-heteroaryl derivatives as 5-HT1D receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-12-15 | — | — | US | disclosed |