Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ME2 | P23368 | 1/20 | 0.39 |
| ▸ | ME1 | P48163 | 1/20 | 0.39 |
| ▸ | ME3 | Q16798 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634756 | 0.84 | ITGB3 (0.43) | ITGB3ITGA2BHRH3GAAKDM4E | |
| SCHEMBL8630664 | 0.84 | CYP2D6 (0.48) | ITGB3ITGA2BHRH3GAAKDM4E | |
| SCHEMBL8633964 | 0.74 | KDM4E (0.45) | ITGB3ITGA2BHRH3GAAKDM4E | |
| SCHEMBL8838002 | 0.74 | HRH3 (0.53) | ITGB3ITGA2BHRH3GAAKDM4E | |
| Hydrochloric Acid SCHEMBL8838192 | 0.73 | KDM4E (0.44) | ITGB3ITGA2BHRH3GAAKDM4E | |
| Hydrochloric Acid SCHEMBL8838039 | 0.71 | TRPV1 (0.47) | KDM4EMAPTROCK2MEN1KMT2A | |
| SCHEMBL8634899 | 0.71 | TSHR (0.42) | ITGB3ITGA2BHRH3GAAKDM4E | |
| SCHEMBL8838099 | 0.70 | CHKA (0.50) | ITGB3ITGA2BHRH3GAACYP2C9 | |
| SCHEMBL8637197 | 0.70 | MAPT (0.43) | ITGB3ITGA2BHRH3GAAKDM4E | |
| SCHEMBL4715499 | 0.70 | KDM4E (0.61) | ITGB3ITGA2BHRH3GAAKDM4E |
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 3 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 |
| US-5728701-A | INHIBIT PLATELET AGGREGATION | ZENECA LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |