Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13571069 | 0.88 | ALDH1A1 (0.37) | ALDH1A1ALDH1A3ALDH3A1TSHREGFR | |
| SCHEMBL13630983 | 0.85 | ALDH1A1 (0.40) | ALDH1A1ALDH1A3ALDH3A1TSHREGFR | |
| SCHEMBL7896888 | 0.80 | ALDH1A1 (0.40) | ALDH1A1KDM4ERAB9ALMNAMAPT | |
| SCHEMBL7896891 | 0.80 | ALDH1A1 (0.40) | ALDH1A1KDM4ERAB9ALMNAMAPT | |
| SCHEMBL24025599 | 0.79 | ALDH1A1 (0.37) | ALDH1A1TSHREGFRKDM4EPTGS2 | |
| SCHEMBL7575302 | 0.79 | AR (0.38) | ALDH1A1KDM4ERAB9AARMAPT | |
| SCHEMBL6899726 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHREGFRKDM4EPTGS2 | |
| SCHEMBL1795902 | 0.77 | TSHR (0.43) | ALDH1A1ALDH1A3TSHREGFRKDM4E | |
| SCHEMBL1982932 | 0.77 | KDM4E (0.52) | ALDH1A1TSHRKDM4EHSD17B10AR | |
| SCHEMBL30902412 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TSHRKDM4ETDP1FDPS |
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 |