Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634078 | 0.82 | HRH3 (0.36) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL8630659 | 0.76 | HTR1A (0.40) | HRH3MAPTCYP2C9TSHRCYP2D6 | |
| SCHEMBL8702212 | 0.74 | CA12 (0.38) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL8633904 | 0.74 | ADRB2 (0.36) | HRH3CYP2C9TSHRITGB3ITGA2B | |
| SCHEMBL8634084 | 0.73 | CA12 (0.40) | CA12CA1CA2CA9HRH3 | |
| SCHEMBL8633964 | 0.72 | KDM4E (0.45) | HRH3KDM4EGAAMAPTCYP2C9 | |
| Hydrochloric Acid SCHEMBL8838192 | 0.71 | KDM4E (0.44) | HRH3KDM4EGAAMAPTCYP2C9 | |
| SCHEMBL8637197 | 0.70 | MAPT (0.43) | HRH3KDM4EGAAMAPTCYP2C9 | |
| SCHEMBL8636975 | 0.69 | ITGB3 (0.39) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL8686318 | 0.69 | ITGB3 (0.43) | CA12CA1CA2CA9HRH3 |
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 |