Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.38 |
| ▸ | HRH2 | P25021 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8632823 | 0.84 | FAAH (0.44) | CYP2C9CYP2D6TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL8681193 | 0.81 | CYP2C9 (0.40) | CYP2C9CYP2D6TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL8630681 | 0.81 | HRH3 (0.37) | CYP2C9CYP2D6TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL8631392 | 0.80 | CYP2C9 (0.39) | CYP2C9CYP2D6TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL8637843 | 0.78 | HRH3 (0.60) | CYP2C9CYP2D6TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL8630602 | 0.75 | HRH3 (0.59) | CYP2C9CYP2D6TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL8634523 | 0.74 | KCNH2 (0.52) | CYP2C9CYP2D6TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL7403452 | 0.73 | ITGB3 (0.37) | CYP2C9CYP2D6TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL8699716 | 0.71 | F10 (0.36) | CYP2C9CYP2D6TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL7402483 | 0.70 | ITGB3 (0.44) | SMN1; SMN2HRH3HRH1HRH2MAPT |
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 |