Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 6/20 | 0.59 |
| ▸ | CA1 | P00915 | 5/20 | 0.59 |
| ▸ | CA9 | Q16790 | 4/20 | 0.59 |
| ▸ | LDHA | P00338 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | MYLK | Q15746 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9138970 | 0.87 | CDK2 (0.78) | CDK2CA2CA1CA9LDHA | |
| SCHEMBL15461559 | 0.79 | CYP1A2 (0.45) | CDK2CA2CA1CA9TP53 | |
| SCHEMBL9467299 | 0.79 | CYP3A4 (0.45) | CDK2CA2CA1CA9TP53 | |
| SCHEMBL5284994 | 0.79 | TTR (0.60) | CDK2TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4812059 | 0.78 | CA2 (0.47) | CDK2CA2CA1CA9LDHA | |
| Benzenesulfonamide SCHEMBL6672452 | 0.78 | TTR (0.50) | CDK2CA2CA1CA9LDHA | |
| SCHEMBL29469861 | 0.78 | CA2 (0.56) | CDK2CA2CA1CA9LDHA | |
| SCHEMBL1471236 | 0.78 | CA2 (0.56) | CDK2CA2CA1CA9LDHA | |
| SCHEMBL1803500 | 0.77 | TTR (0.68) | CDK2CA2CA1CA9LDHA | |
| SCHEMBL15851423 | 0.77 | CDK2 (0.70) | CDK2CA2CA1CA9LDHA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101812063-B | Alpha-naphthalenesulfonamide five-membered heterocyclic compound and tumor inhibition activity thereof | INST OF MEDICINAL BIOTECHNOLOGY ACADEMY OF MEDICAL SCIENCES | 2012-04-25 | — | — | CN | disclosed |
| CN-101812063-A | Alpha-naphthalenesulfonamide base quintuple heterocyclic compound and anti-tumor activity thereof | INST MED BIOTECHNOLOGY CAMS | 2010-08-25 | — | — | CN | disclosed |