Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LTA4H | P09960 | 3/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8251 | 0.73 | NOS2 (0.43) | TRPA1ALDH1A1CYP3A4MIFHPGD | |
| SCHEMBL5902338 | 0.73 | CA4 (0.42) | TSHRLTA4HKCNA3TP53 | |
| SCHEMBL6598540 | 0.71 | TSHR (0.50) | TRPA1ALDH1A1CYP3A4MIFHPGD | |
| SCHEMBL1653 | 0.70 | ALDH1A1 (0.55) | TRPA1ALDH1A1CYP3A4MIFHPGD | |
| SCHEMBL9872012 | 0.70 | LTA4H (0.41) | TSHRLTA4HKMT2AKCNA3 | |
| SCHEMBL11337111 | 0.70 | TP53 (0.44) | TRPA1ALDH1A1CYP3A4MIFHPGD | |
| SCHEMBL10667652 | 0.70 | TSHR (0.44) | TRPA1ALDH1A1CYP3A4MIFHPGD | |
| SCHEMBL1852892 | 0.70 | ALDH1A1 (0.40) | TRPA1ALDH1A1CYP3A4MIFHPGD | |
| SCHEMBL453564 | 0.69 | — | — | |
| SCHEMBL7462793 | 0.68 | TRPA1 (0.39) | TRPA1ALDH1A1CYP3A4MIFHPGD |
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-1885349-A2 | SULPHAMIDES FOR TREATMENT OF CANCER | Merck Sharp & Dohme Limited (GB) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006123185-A2 | SULPHAMIDES FOR TREATMENT OF CANCER | MERCK SHARP & DOHME LIMITED (GB) | 2006-11-23 | — | — | WO | disclosed |