Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8635770 | 0.89 | ROCK2 (0.49) | ROCK2ALDH1A1TSHRMAPK1SMN1; SMN2 | |
| SCHEMBL8633634 | 0.89 | CYP2C9 (0.46) | ITGB3ITGA2BROCK2ALDH1A1KDM4E | |
| SCHEMBL8636233 | 0.81 | CHRM1 (0.39) | ITGB3ITGA2BKDM4ETSHRCYP2C9 | |
| SCHEMBL8634909 | 0.81 | KDM4E (0.39) | ITGB3ITGA2BALDH1A1KDM4ETDP1 | |
| SCHEMBL8635264 | 0.80 | CYP2C9 (0.44) | ITGB3ITGA2BROCK2ALDH1A1KDM4E | |
| SCHEMBL8634772 | 0.80 | GAA (0.39) | ITGB3ITGA2BROCK2ALDH1A1KDM4E | |
| SCHEMBL8633523 | 0.80 | AOC3 (0.38) | ALDH1A1MAPK1MAPTKMT2AAOC3 | |
| SCHEMBL8635651 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KDM4ETDP1TSHRMAPK1 | |
| SCHEMBL8632705 | 0.78 | CYP2C9 (0.42) | ITGB3ITGA2BROCK2ALDH1A1KDM4E | |
| SCHEMBL8632213 | 0.78 | SLC2A1 (0.43) | ALDH1A1KDM4ETSHRHIF1AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |