Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 3/20 | 0.61 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6178979 | 0.87 | PSEN1 (0.57) | CYP3A4CYP2C19ALDH1A1USP2POLB | |
| SCHEMBL6178010 | 0.84 | CYP3A4 (0.74) | CYP3A4CYP2C19ALDH1A1USP2POLB | |
| SCHEMBL6180591 | 0.84 | TRPA1 (0.48) | CYP3A4CYP2C19ALDH1A1USP2POLB | |
| SCHEMBL6179184 | 0.82 | TRPA1 (0.57) | POLBMAPTLMNAMAPK1KDM4E | |
| SCHEMBL3367394 | 0.81 | NPSR1 (0.49) | CYP3A4CYP2C19ALDH1A1USP2POLB | |
| SCHEMBL6178185 | 0.78 | TRPA1 (0.53) | ALDH1A1POLBMAPTLMNAKDM4E | |
| SCHEMBL6180434 | 0.78 | TRPA1 (0.47) | LMNATRPA1 | |
| SCHEMBL24016026 | 0.78 | CYP3A4 (0.66) | CYP3A4CYP2C19ALDH1A1USP2POLB | |
| SCHEMBL26465275 | 0.78 | CYP3A4 (0.66) | CYP3A4CYP2C19ALDH1A1USP2POLB | |
| SCHEMBL24015601 | 0.78 | CYP3A4 (0.66) | CYP3A4CYP2C19ALDH1A1USP2POLB |
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 1 patent. 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 |