Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.52 |
| ▸ | HTR2C | P28335 | 7/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 7/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8322232 | 0.92 | HTR2A (0.50) | HTR2AHTR2CCYP11B1USP2CYP2D6 | |
| SCHEMBL8328678 | 0.87 | HTR2A (0.47) | HTR2AHTR2CCYP11B1USP2CYP2D6 | |
| SCHEMBL8328958 | 0.70 | HTR2A (0.49) | HTR2AHTR2CCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL8325900 | 0.69 | HTR2A (0.46) | HTR2AHTR2C | |
| SCHEMBL2356686 | 0.69 | HTR2A (1.00) | HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL7842672 | 0.68 | HTR2A (0.97) | HTR2AHTR2CALDH1A1HPGD | |
| SCHEMBL29391845 | 0.68 | HTR2A (1.00) | HTR2AHTR2C | |
| SCHEMBL6711152 | 0.68 | HTR2A (1.00) | HTR2AHTR2C | |
| SCHEMBL8322471 | 0.68 | HTR2A (0.40) | HTR2AHTR2C | |
| Azepindole SCHEMBL120676 | 0.67 | HTR2A (0.81) | HTR2AHTR2C |
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 |