Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | HTR2C | P28335 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8324980 | 0.88 | HTR2A (0.42) | SIGMAR1HTR2AHTR2C | |
| SCHEMBL8328986 | 0.71 | HTR2A (0.42) | HTR2AHTR2CALDH1A1 | |
| SCHEMBL8326874 | 0.70 | HTR2A (0.42) | SIGMAR1HTR2AHTR2CALDH1A1 | |
| SCHEMBL8325800 | 0.69 | ALDH1A1 (0.39) | SIGMAR1HTR2AHTR2CALDH1A1 | |
| SCHEMBL3156042 | 0.68 | HTR2A (0.46) | SIGMAR1HTR2AHTR2C | |
| SCHEMBL8325900 | 0.65 | HTR2A (0.46) | SIGMAR1HTR2AHTR2C | |
| SCHEMBL8328249 | 0.65 | HTR2A (0.44) | SIGMAR1HTR2AHTR2C | |
| SCHEMBL8449854 | 0.64 | SIGMAR1 (0.49) | SIGMAR1HTR2AHTR2C | |
| SCHEMBL5380065 | 0.64 | SIGMAR1 (0.64) | SIGMAR1 | |
| SCHEMBL28218698 | 0.63 | OXER1 (0.38) | SIGMAR1ALDH1A1KMO |
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 |