Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 8/20 | 0.38 |
| ▸ | CASP7 | P55210 | 8/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.38 |
| ▸ | CASP9 | P55211 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PER2 | O15055 | 1/20 | 0.33 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.33 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8541269 | 1.00 | CASP3 (0.38) | CASP3CASP7HCRTR2CASP9KCNH2 | |
| SCHEMBL8541195 | 1.00 | CASP3 (0.38) | CASP3CASP7HCRTR2CASP9KCNH2 | |
| SCHEMBL17596226 | 0.95 | PSEN1 (0.37) | CASP3CASP7HCRTR2CASP9PER2 | |
| SCHEMBL13269872 | 0.85 | CASP3 (0.46) | CASP3CASP7CASP9KCNH2HRH3 | |
| SCHEMBL12232963 | 0.79 | CHRNB2 (0.45) | — | |
| SCHEMBL10126842 | 0.79 | CHRNB2 (0.45) | — | |
| SCHEMBL19462305 | 0.79 | CHRNB2 (0.45) | — | |
| SCHEMBL13237412 | 0.79 | PSEN1 (0.47) | PER2CRY1CRY2 | |
| SCHEMBL15727557 | 0.79 | PSEN1 (0.47) | PER2CRY1CRY2 | |
| SCHEMBL14922228 | 0.79 | PSEN1 (0.47) | PER2CRY1CRY2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5770611-A | Indole derivatives as 5HT1 -like agonists | PFIZER INC. (US) | 1998-06-23 | — | — | US | disclosed |
| EP-0785933-B1 | INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS | PFIZER LTD (GB) | 1998-03-11 | — | — | EP | disclosed |
| EP-0785933-A1 | INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS | Pfizer Limited (GB) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011195-A1 | INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS | PFIZER LIMITED (GB) | 1996-04-18 | — | — | WO | disclosed |