Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.52 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.52 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.52 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.52 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.52 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6178577 | 0.90 | TRPA1 (0.73) | TRPA1GAAPSEN1PSEN2APH1B | |
| SCHEMBL6178584 | 0.90 | TRPA1 (0.73) | TRPA1GAAPSEN1PSEN2APH1B | |
| SCHEMBL6179333 | 0.86 | PSEN1 (0.70) | TRPA1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL6177618 | 0.86 | PSEN1 (0.69) | TRPA1GAAPSEN1PSEN2APH1B | |
| SCHEMBL6177624 | 0.86 | PSEN1 (0.69) | TRPA1GAAPSEN1PSEN2APH1B | |
| SCHEMBL6178010 | 0.85 | CYP3A4 (0.74) | TRPA1CYP3A4CYP2C19ALDH1A1USP2 | |
| SCHEMBL6180624 | 0.84 | LMNA (0.62) | TRPA1GAACYP3A4ALDH1A1USP2 | |
| SCHEMBL6180620 | 0.84 | LMNA (0.62) | TRPA1GAACYP3A4ALDH1A1USP2 | |
| SCHEMBL6178726 | 0.84 | TRPA1 (0.65) | TRPA1GAAPSEN1PSEN2APH1B | |
| SCHEMBL6178722 | 0.84 | TRPA1 (0.65) | TRPA1GAAPSEN1PSEN2APH1B |
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 2 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 | disclosed |
| US-6284785-B1 | HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS | HOFFMANN- LA ROCHE INC. | 2001-09-04 | — | — | US | disclosed |