Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.73 |
| ▸ | USP2 | O75604 | 1/20 | 0.73 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 6/20 | 0.62 |
| ▸ | POLB | P06746 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11559696 | 0.93 | CYP3A4 (0.66) | CYP3A4CYP2C19ALDH1A1USP2ADRB2 | |
| SCHEMBL6181813 | 0.85 | TRPA1 (0.60) | CYP3A4CYP2C19ALDH1A1USP2ADRB2 | |
| SCHEMBL6177618 | 0.84 | PSEN1 (0.69) | CYP3A4CYP2C19ALDH1A1USP2TSHR | |
| SCHEMBL6177624 | 0.84 | PSEN1 (0.69) | CYP3A4CYP2C19ALDH1A1USP2TSHR | |
| SCHEMBL5307006 | 0.84 | CYP3A4 (0.80) | CYP3A4CYP2C19ALDH1A1USP2ADRB2 | |
| SCHEMBL396700 | 0.84 | ALDH1A1 (1.00) | CYP3A4CYP2C19ALDH1A1USP2ADRB2 | |
| SCHEMBL6178012 | 0.84 | CYP3A4 (0.62) | CYP3A4CYP2C19ALDH1A1USP2ADRB2 | |
| SCHEMBL24016026 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C19ALDH1A1USP2ADRB2 | |
| SCHEMBL24015601 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C19ALDH1A1USP2ADRB2 | |
| SCHEMBL26465275 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C19ALDH1A1USP2ADRB2 |
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-1165510-B1 | 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2005-09-28 | — | — | EP | claimed |
| EP-1165510-B1 | 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2005-09-28 | — | — | EP | disclosed |
| US-6284785-B1 | HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS | HOFFMANN- LA ROCHE INC. | 2001-09-04 | — | — | US | disclosed |