Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
| ▸ | CA3 | P07451 | 2/20 | 0.54 |
| ▸ | CA4 | P22748 | 2/20 | 0.54 |
| ▸ | CA6 | P23280 | 2/20 | 0.54 |
| ▸ | CA5A | P35218 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL9641462 | 0.82 | PTGS2 (0.47) | CA1CA2ALDH1A1MMP1MMP2 | |
| SCHEMBL10470263 | 0.82 | CA12 (0.50) | CA1CA2CA12CA9CA3 | |
| SCHEMBL9641531 | 0.82 | ALDH1A1 (0.41) | CA1CA2CA12CA9POLB | |
| SCHEMBL9641422 | 0.81 | HSD11B1 (0.45) | POLBALDH1A1GAAKMT2AMAPT | |
| SCHEMBL10469636 | 0.78 | LMNA (0.53) | CA1CA2CA12CA9ATM | |
| SCHEMBL9642217 | 0.75 | NPC1 (0.48) | CA2ATMPOLBALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL28526504 | 0.73 | CA2 (0.62) | CA1CA2CA12CA9CA3 | |
| SCHEMBL26247380 | 0.72 | MAPT (0.61) | CA1CA2CA12CA9CA3 | |
| SCHEMBL9641442 | 0.71 | RAB9A (0.49) | POLBALDH1A1F2PRSS1PRSS2 | |
| SCHEMBL1164063 | 0.70 | CA1 (0.72) | CA1CA2CA12CA9CA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4962114-A | ANTITUMOR AGENTS; ALKYLATING AGENTS; NONTOXIC | YALE UNIVERSITY (US) | 1990-10-09 | — | — | US | disclosed |
| US-4849563-A | Novel 1-alkyl-1-arenesulfonyl-2-alkoxycarbonylsulfenylhydrazines having antineoplastic activity | YALE UNIVERSITY (US) | 1989-07-18 | — | — | US | disclosed |
| EP-0294238-A1 | Novel 1-alkyl-1-sulfonyl-2-alkoxycarbonylsulfenylhydrazines having antineoplastic activity | YALE UNIVERSITY (US) | 1988-12-07 | — | — | EP | disclosed |