Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | ME2 | P23368 | 1/20 | 0.44 |
| ▸ | ME1 | P48163 | 1/20 | 0.44 |
| ▸ | ME3 | Q16798 | 1/20 | 0.44 |
| ▸ | METAP1 | P53582 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8630427 | 0.79 | ITGB3 (0.47) | ITGB3ITGA2BHRH3MAPK1ATM | |
| SCHEMBL8696504 | 0.78 | HRH3 (0.51) | ITGB3ITGA2BHRH3MAPK1ATM | |
| SCHEMBL7398259 | 0.77 | ITGB3 (0.50) | ITGB3ITGA2BHRH3HRH1ROCK2 | |
| SCHEMBL8634059 | 0.77 | ITGB3 (0.44) | ITGB3ITGA2BHRH3MAPK1HRH2 | |
| Hydrochloric Acid SCHEMBL7395167 | 0.76 | ITGB3 (0.56) | ITGB3ITGA2BHRH3HRH1METAP1 | |
| Hydrochloric Acid SCHEMBL8699382 | 0.76 | ITGB3 (0.43) | ITGB3ITGA2BHRH3MAPK1HRH2 | |
| SCHEMBL8631645 | 0.74 | ITGB3 (0.54) | ITGB3ITGA2BHRH3ATMHRH2 | |
| SCHEMBL8838002 | 0.74 | HRH3 (0.53) | ITGB3ITGA2BHRH3ROCK2KDM4E | |
| Hydrochloric Acid SCHEMBL9080887 | 0.73 | ITGB3 (0.58) | ITGB3ITGA2BHRH3MAPK1HRH1 | |
| Hydrochloric Acid SCHEMBL8637002 | 0.73 | ITGB3 (0.45) | ITGB3ITGA2BHRH3MAPK1HRH2 |
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 |