Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.76 |
| ▸ | CA1 | P00915 | 14/20 | 0.76 |
| ▸ | CA9 | Q16790 | 10/20 | 0.76 |
| ▸ | CA12 | O43570 | 8/20 | 0.51 |
| ▸ | CA7 | P43166 | 6/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8024515 | 0.86 | CA2 (1.00) | CA2CA1CA9CA12CA7 | |
| SCHEMBL6297784 | 0.77 | CA2 (0.82) | CA2CA1CA9CA12CA7 | |
| SCHEMBL31028753 | 0.71 | PTGDR2 (0.44) | CA2CA1CA9PNMT | |
| SCHEMBL19338384 | 0.71 | CA1 (0.42) | CA2CA1CA9CYP2C9LMNA | |
| SCHEMBL1725785 | 0.71 | PTGDR2 (0.44) | CA2CA1CA9PNMT | |
| SCHEMBL24899655 | 0.71 | CA1 (0.42) | CA2CA1CA9ADRA2APNMT | |
| SCHEMBL19865381 | 0.70 | RYR2 (0.56) | CA2CA1CA9CA5A | |
| SCHEMBL5757756 | 0.70 | CA1 (0.42) | CA2CA1CA9CA12CA7 | |
| SCHEMBL8030116 | 0.70 | LMNA (0.56) | CA2CA1CA9CA12CA7 | |
| SCHEMBL18029748 | 0.69 | CA2 (0.71) | CA2CA1CA9CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000063202-A2 | BENZO[b] THIOPHENE SULFONAMIDE-1, 1-DIOXIDE DERIVATIVES AND THEIR USE AS ANTINEOPLASTIC AGENTS | UNIVERSIDAD PUBLICA DE NAVARRA (ES) | 2000-10-26 | — | — | WO | claimed |