Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8636540 | 0.85 | GAA (0.62) | GAAHTTSMN1; SMN2DRD4GFER | |
| SCHEMBL7399577 | 0.82 | CHKA (0.43) | GAASMN1; SMN2DRD4GFERMEN1 | |
| SCHEMBL8634780 | 0.79 | SMN1; SMN2 (0.48) | SMN1; SMN2DRD4METAP1MEN1KMT2A | |
| Phenol SCHEMBL8634778 | 0.74 | HRH3 (0.42) | GAASMN1; SMN2DRD4METAP1MEN1 | |
| SCHEMBL8699660 | 0.73 | GAA (0.37) | GAAHTTDRD4GFERNPC1 | |
| SCHEMBL7329611 | 0.71 | METAP1 (0.52) | METAP1CHKAHRH2HRH1HRH3 | |
| Catechol SCHEMBL6545013 | 0.70 | MAPT (0.48) | GAAHTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL11120307 | 0.70 | GAA (0.70) | GAAHTTSMN1; SMN2DRD4GFER | |
| SCHEMBL4019882 | 0.70 | GAA (0.70) | GAAHTTSMN1; SMN2DRD4GFER | |
| SCHEMBL17831308 | 0.67 | CHKA (0.48) | GAAHTTSMN1; SMN2NPC1RAB9A |
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 |