Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9641458 | 0.87 | ALDH1A1 (0.46) | CA12CA9MEN1KMT2AMAPT | |
| SCHEMBL9641531 | 0.85 | ALDH1A1 (0.41) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL9641462 | 0.85 | PTGS2 (0.47) | CA1CA2PTGS2ALDH1A1LMNA | |
| SCHEMBL9641422 | 0.85 | HSD11B1 (0.45) | KMT2AMAPTALDH1A1LMNAGAA | |
| SCHEMBL10468469 | 0.82 | CA1 (0.54) | CA12CA1CA2CA3CA4 | |
| SCHEMBL10469636 | 0.82 | LMNA (0.53) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL9642217 | 0.78 | NPC1 (0.48) | CA2MEN1KMT2AALDH1A1GAA | |
| SCHEMBL10449092 | 0.73 | CA1 (0.56) | CA12CA1CA2CA3CA4 | |
| SCHEMBL9642212 | 0.72 | KCNJ6 (0.39) | CA1CA2CA5ACA9KMT2A | |
| SCHEMBL9641442 | 0.71 | RAB9A (0.49) | KMT2AHSD17B10ALDH1A1KDM4ELMNA |
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 |