Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.45 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL7988314 | 0.90 | ALDH1A1 (0.48) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL3876509 | 0.86 | SMN1; SMN2 (0.50) | ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL5007368 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL6993631 | 0.82 | KCNH2 (0.47) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL7971758 | 0.82 | KCNH2 (0.56) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL6997081 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL8565649 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL3870704 | 0.81 | ALDH1A1 (0.48) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL7988149 | 0.81 | ALDH1A1 (0.48) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL7982292 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10HPGDMAPT |
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-6211199-B1 | HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS | AVENTIS PHARMACEUTICALS INC. | 2001-04-03 | — | — | US | disclosed |