Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8572372 | 0.83 | KMT2A (0.40) | TRPA1MAPKAPK2KMT2ACDK2ALDH1A1 | |
| SCHEMBL8572427 | 0.76 | KMT2A (0.44) | TRPA1KMT2AALDH1A1MEN1NR1I2 | |
| Hydrochloric Acid SCHEMBL5178097 | 0.71 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8577356 | 0.70 | ALDH1A1 (0.40) | TRPA1MAPKAPK2KMT2ACDK2ALDH1A1 | |
| SCHEMBL27262054 | 0.69 | SLC6A2 (0.45) | MAPKAPK2CDK2SLC6A2 | |
| SCHEMBL9008342 | 0.68 | KMT2A (0.59) | TRPA1MAPKAPK2KMT2ACDK2ALDH1A1 | |
| SCHEMBL31453688 | 0.68 | KMT2A (0.59) | TRPA1MAPKAPK2KMT2ACDK2ALDH1A1 | |
| SCHEMBL29458485 | 0.68 | MALT1 (0.58) | KMT2AALDH1A1MEN1NR1I2AHR | |
| SCHEMBL22644321 | 0.68 | MALT1 (0.58) | KMT2AALDH1A1MEN1NR1I2AHR | |
| SCHEMBL8574181 | 0.68 | MAPKAPK2 (0.44) | TRPA1MAPKAPK2KMT2ACDK2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5821240-A | ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS | DR. KARL THOMAE GMBH (DE) | 1998-10-13 | — | — | US | disclosed |