Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.55 |
| ▸ | HTR2C | P28335 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8328958 | 0.87 | HTR2A (0.49) | HTR2AHTR2CCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL19921285 | 0.73 | HTR2A (0.47) | HTR2AHTR2CSIGMAR1NOTUM | |
| SCHEMBL18202247 | 0.73 | HTR2A (0.47) | HTR2AHTR2CSIGMAR1NOTUM | |
| SCHEMBL233434 | 0.72 | HTR2A (0.44) | HTR2AHTR2CTSHRSIGMAR1NOTUM | |
| SCHEMBL6714308 | 0.71 | HTR2A (1.00) | HTR2AHTR2CSIGMAR1 | |
| SCHEMBL8328246 | 0.71 | HTR2A (0.49) | HTR2AHTR2CSIGMAR1NOTUM | |
| SCHEMBL18911621 | 0.69 | HTR2A (0.73) | HTR2AHTR2CSIGMAR1NOTUM | |
| SCHEMBL8322785 | 0.69 | HTR2A (0.47) | HTR2AHTR2CSIGMAR1NOTUM | |
| SCHEMBL8328872 | 0.69 | HTR2A (0.47) | HTR2AHTR2CSIGMAR1NOTUM | |
| SCHEMBL8327600 | 0.69 | HTR2A (0.44) | HTR2AHTR2CTSHRSIGMAR1NOTUM |
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-0470490-B1 | Substituted pyrroles | HOFFMANN LA ROCHE (CH) | 1999-05-06 | — | — | EP | disclosed |
| US-5292747-A | Substituted pyrroles | HOFFMAN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0470490-A1 | Substituted pyrroles | F. HOFFMANN-LA ROCHE AG (CH) | 1992-02-12 | — | — | EP | disclosed |