Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.33 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | GCKR | Q14397 | 1/20 | 0.33 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8637925 | 0.87 | GFER (0.38) | ALDH1A1KDM4EGAACACNA1ACACNA2D1 | |
| SCHEMBL27442362 | 0.82 | GAA (0.43) | ALDH1A1KDM4EHSD17B10NPSR1GAA | |
| SCHEMBL8701306 | 0.78 | KDM4E (0.36) | ALDH1A1KDM4EL3MBTL1GAA | |
| SCHEMBL8632567 | 0.77 | GFER (0.39) | ALDH1A1NPSR1 | |
| SCHEMBL8698839 | 0.76 | FAAH (0.37) | ALDH1A1HSD17B10NPSR1GAA | |
| SCHEMBL8634865 | 0.76 | GAA (0.38) | L3MBTL1NPSR1GAA | |
| SCHEMBL8635810 | 0.76 | NPSR1 (0.34) | ALDH1A1KDM4EHSD17B10NPSR1GAA | |
| Hydrochloric Acid SCHEMBL8637210 | 0.76 | GFER (0.38) | NPSR1 | |
| SCHEMBL8636934 | 0.74 | MAPT (0.36) | ALDH1A1L3MBTL1NPSR1GAA | |
| SCHEMBL8699716 | 0.73 | F10 (0.36) | ALDH1A1HSD17B10NPSR1GAA |
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 |