Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | ADH1B | P00325 | 1/20 | 0.30 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
| ▸ | ADH1A | P07327 | 1/20 | 0.30 |
| ▸ | ADH4 | P08319 | 1/20 | 0.30 |
| ▸ | ADH7 | P40394 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5068241 | 0.78 | CHRM5 (0.35) | CHRM5CYP1A2ADRA2CCHRM2CHRM4 | |
| SCHEMBL16933746 | 0.75 | — | — | |
| SCHEMBL5906000 | 0.74 | CYP1A2 (0.37) | CYP1A2 | |
| SCHEMBL14684139 | 0.74 | CYP1A2 (0.37) | CYP1A2 | |
| SCHEMBL19003165 | 0.74 | CYP1A2 (0.37) | CYP1A2 | |
| SCHEMBL28930071 | 0.72 | SHBG (0.42) | CYP1A2 | |
| SCHEMBL16933895 | 0.72 | ALDH1A1 (0.32) | CHRM5CYP1A2ADRA2CCHRM2CHRM4 | |
| SCHEMBL11021785 | 0.72 | CYP1A2 (0.46) | CYP1A2SIGMAR1 | |
| SCHEMBL24034904 | 0.70 | — | — | |
| SCHEMBL8281787 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1991544-A2 | SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS | Transtech Pharma, Inc. (US) | 2008-11-19 | — | — | EP | disclosed |
| WO-2007089857-A2 | SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS | TRANSTECH PHARMA, INC. (US) | 2007-08-09 | — | — | WO | disclosed |
| EP-1809611-A1 | REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS | NPS PHARMACEUTICALS, INC. (US) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006041968-A1 | REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS | NPS PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |