Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13736515 | 0.93 | KDM4E (0.58) | TOP2AALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL2104747 | 0.87 | TOP2A (0.54) | TOP2AALDH1A1KDM4EHPGDBCAT2 | |
| SCHEMBL28569255 | 0.75 | TOP2A (0.50) | TOP2AALDH1A1KDM4ELMNAMAPK14 | |
| SCHEMBL6114022 | 0.75 | ALOX12 (0.50) | ALDH1A1MAPTBCAT2LMNAHDAC1 | |
| SCHEMBL28623470 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPTBCAT2MAPK14SLC6A2 | |
| SCHEMBL12125516 | 0.74 | PARP1 (0.44) | ALDH1A1MAPTKDM4EHPGDBCAT2 | |
| SCHEMBL7527111 | 0.73 | KMT2A (0.53) | ALDH1A1MAPTKDM4EHPGDBCAT2 | |
| SCHEMBL2105803 | 0.73 | TOP2A (0.45) | TOP2AMAPK14HCAR3 | |
| SCHEMBL4305366 | 0.73 | CYP3A4 (0.46) | ALDH1A1MAPTKDM4EHPGDLMNA | |
| SCHEMBL8359924 | 0.72 | RAPGEF4 (0.47) | ALDH1A1MAPTHPGDLMNACA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012152983-A1 | PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN | ORION CORPORATION (FI) | 2012-11-15 | — | — | WO | disclosed |
| EP-2520566-A1 | New Pharmaceutical Compounds | Orion Corporation (FI) | 2012-11-07 | — | — | EP | disclosed |