Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.52 |
| ▸ | S100A9 | P06702 | 4/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.50 |
| ▸ | CCND1 | P24385 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | CDK7 | P50613 | 1/20 | 0.50 |
| ▸ | CCNH | P51946 | 1/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.50 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7593518 | 0.89 | ACLY (0.61) | ACLYS100A9CDK1CCNB1CCNA2 | |
| SCHEMBL7571578 | 0.81 | TDP1 (0.48) | ACLYS100A9CDK1CCNB1CCNA2 | |
| SCHEMBL7579927 | 0.75 | CDK1 (0.72) | ACLYS100A9CDK1CCNB1CCNA2 | |
| SCHEMBL7552185 | 0.74 | ACLY (0.53) | ACLYS100A9CDK1CCNB1CCNA2 | |
| SCHEMBL7589604 | 0.73 | S100A9 (0.51) | ACLYS100A9CDK1CCNB1CCNA2 | |
| SCHEMBL7595904 | 0.73 | ACLY (0.49) | ACLYS100A9CDK1CCNB1CCNA2 | |
| SCHEMBL7589357 | 0.72 | S100A9 (0.57) | ACLYS100A9CDK1CCNB1CCNA2 | |
| SCHEMBL7592196 | 0.72 | CDK1 (0.63) | ACLYS100A9CDK1CCNB1CCNA2 | |
| SCHEMBL16235754 | 0.72 | TDP1 (0.52) | ACLYS100A9CDK1CCNB1CCNA2 | |
| SCHEMBL11133599 | 0.71 | CA2 (0.70) | CA2PTGS1PTGS2CA1PTGES2 |
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-1239852-A2 | BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS | Arrow Therapeutics Limited (GB) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001028537-A2 | BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS | ARROW THERAPEUTICS LIMITED (GB) | 2001-04-26 | — | — | WO | disclosed |