Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6957841 | 0.80 | ALOX5 (0.47) | NPC1RAB9AACHEALOX5PTGS1 | |
| SCHEMBL6965769 | 0.76 | ALDH1A1 (0.57) | MAOBALDH1A1CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL14087168 | 0.76 | ACHE (0.52) | GSK3BPTPN1NPC1RAB9AACHE | |
| SCHEMBL4877516 | 0.74 | TSHR (0.63) | ACHEMAOBEGFRALDH1A1MEN1 | |
| SCHEMBL10506729 | 0.73 | GSK3B (0.55) | GSK3BPTPN1NPC1RAB9AALDH1A1 | |
| SCHEMBL41220 | 0.72 | NR4A1 (0.70) | GSK3BPTPN1RAB9APTGS1PTGS2 | |
| SCHEMBL6326282 | 0.72 | BCHE (0.48) | GSK3BPTPN1NPC1RAB9AACHE | |
| SCHEMBL1350830 | 0.71 | GSK3B (0.67) | GSK3BPTPN1 | |
| SCHEMBL27862677 | 0.71 | ALOX5 (0.47) | NPC1RAB9AACHEALOX5PTGS1 | |
| SCHEMBL2531747 | 0.69 | GSK3B (0.69) | GSK3BPTPN1L3MBTL1 |
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 |