Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634882 | 0.93 | HRH3 (0.42) | HRH3DRD4SLC6A4DHFRITGB3 | |
| SCHEMBL8634920 | 0.76 | ITGB3 (0.39) | HRH3DHFRITGB3ITGA2BCYP2C9 | |
| SCHEMBL6600563 | 0.71 | MAPT (0.62) | ITGB3ITGA2BCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16546681 | 0.70 | CHKA (0.52) | HRH3DHFR | |
| SCHEMBL8699939 | 0.70 | HRH3 (0.44) | HRH3DRD4SLC6A4CYP2C9 | |
| SCHEMBL8634875 | 0.70 | SPHK1 (0.39) | HRH3DRD4SLC6A4ITGB3ITGA2B | |
| SCHEMBL8837987 | 0.69 | ITGB3 (0.63) | HRH3DRD4SLC6A4ITGB3ITGA2B | |
| SCHEMBL6180151 | 0.69 | ITGB3 (0.61) | HRH3DRD4SLC6A4ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL8838017 | 0.68 | ADRB2 (0.39) | HRH3ITGB3ITGA2BCYP3A4CYP2D6 | |
| SCHEMBL4712908 | 0.68 | CHRNA7 (0.66) | HRH3DHFR |
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 |