Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A9 | P06702 | 4/20 | 0.57 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.55 |
| ▸ | CCND1 | P24385 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 1/20 | 0.55 |
| ▸ | CDK7 | P50613 | 1/20 | 0.55 |
| ▸ | CCNH | P51946 | 1/20 | 0.55 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.55 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ACLY | P53396 | 1/20 | 0.50 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | SGK1 | O00141 | 4/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7592196 | 0.83 | CDK1 (0.63) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL7593518 | 0.81 | ACLY (0.61) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL7594749 | 0.80 | CDK1 (0.58) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL7552185 | 0.79 | ACLY (0.53) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL16926608 | 0.76 | PIK3C3 (0.56) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL14459502 | 0.75 | METAP2 (0.62) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL7589604 | 0.75 | S100A9 (0.51) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL7589854 | 0.73 | PTGES2 (0.61) | ACLYPFKFB3PTGES2 | |
| SCHEMBL7571716 | 0.73 | CDK1 (0.77) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL7579927 | 0.73 | CDK1 (0.72) | S100A9CDK1CCNB1CCNA2CCND1 |
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 |