Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
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 SCHEMBL9766013 | 0.80 | SIGMAR1 (0.60) | HTR1ASIGMAR1DRD2KDM4ECYP1A2 | |
| SCHEMBL9199690 | 0.79 | HTT (0.56) | GAA | |
| SCHEMBL9120369 | 0.79 | KMT2A (0.60) | SIGMAR1CYP1A2GAACYP2C9 | |
| SCHEMBL9766014 | 0.79 | HTR1A (0.57) | HTR1ASIGMAR1DRD2KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL9119984 | 0.78 | ALDH1A1 (0.56) | GAA | |
| SCHEMBL9207862 | 0.78 | KMT2A (0.58) | SIGMAR1CYP1A2GAACYP2C9 | |
| SCHEMBL9121156 | 0.78 | KMT2A (0.58) | SIGMAR1CYP1A2GAACYP2C9 | |
| Hydrochloric Acid SCHEMBL9122307 | 0.78 | KMT2A (0.58) | SIGMAR1GAA | |
| SCHEMBL9766069 | 0.77 | SIGMAR1 (0.67) | HTR1ASIGMAR1DRD2KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL9120318 | 0.76 | KMT2A (0.57) | SIGMAR1CYP1A2GAACYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0400661-A1 | Agents for treatment of brain ischemia | Bristol-Myers Squibb Company (US) | 1990-12-05 | — | — | EP | claimed |
| US-4994460-A | Treatment or prevention of disorders resulting from central nervous system anoxia | BRISTOL-MYERS SQUIBB CO. (US) | 1991-02-19 | — | — | US | disclosed |
| EP-0400661-A1 | Agents for treatment of brain ischemia | Bristol-Myers Squibb Company (US) | 1990-12-05 | — | — | EP | disclosed |