Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CETP | P11597 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29833114 | 0.77 | ALDH1A1 (0.79) | ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL799334 | 0.76 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL799151 | 0.76 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL20065768 | 0.75 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL6911655 | 0.74 | ALDH1A1 (0.75) | ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL17613188 | 0.74 | ALDH1A1 (0.75) | ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL30814416 | 0.73 | — | — | |
| SCHEMBL19982952 | 0.73 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL19184828 | 0.73 | ALDH1A1 (0.52) | ALDH1A1TDP1 | |
| SCHEMBL9004577 | 0.72 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHR |
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-1395549-A1 | COMPOUNDS AND METHODS FOR PREPARING METHANESULFONAMIDES | PHARMACIA & UPJOHN COMPANY (US) | 2004-03-10 | — | — | EP | disclosed |
| WO-2002098845-A1 | COMPOUNDS AND METHODS FOR PREPARING METHANESULFONAMIDES | PHARMACIA & UPJOHN COMPANY (US) | 2002-12-12 | — | — | WO | disclosed |