Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 6/20 | 0.47 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8158961 | 1.00 | HIF1A (0.47) | HIF1ACAPN1KDM4ESMN1; SMN2TDP1 | |
| SCHEMBL7172808 | 0.95 | HIF1A (0.50) | HIF1ACAPN1KDM4ESMN1; SMN2TDP1 | |
| SCHEMBL9262554 | 0.95 | HIF1A (0.50) | HIF1ACAPN1KDM4ESMN1; SMN2TDP1 | |
| SCHEMBL7172810 | 0.95 | HIF1A (0.50) | HIF1ACAPN1KDM4ESMN1; SMN2TDP1 | |
| SCHEMBL7171914 | 0.92 | HIF1A (0.54) | HIF1AKDM4ESMN1; SMN2 | |
| SCHEMBL7171910 | 0.92 | HIF1A (0.54) | HIF1AKDM4ESMN1; SMN2 | |
| SCHEMBL8165202 | 0.89 | HIF1A (0.46) | HIF1AFFAR1PTPN1 | |
| SCHEMBL8165199 | 0.89 | HIF1A (0.46) | HIF1AFFAR1PTPN1 | |
| SCHEMBL9894742 | 0.88 | KMT2A (0.45) | HIF1AFFAR1 | |
| SCHEMBL9894740 | 0.88 | KMT2A (0.45) | HIF1AFFAR1 |
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-6084120-A | ACTIVE AGAINST CHLOROQUINE-SENSITIVE PATIENTS AND AGAINST CHLOROQUINE-RESISTANT MALARIA PATHOGENS; PROPHYLAXIS AND TREATMENT; E.G., A 3 METHOXY-2-(2-(4-PHENYLBUTA-1,3-DIEN-1-YL)PHENYL)ACRYLIC ACID | HOFFMANN-LA ROCHE INC. (US) | 2000-07-04 | — | — | US | disclosed |
| EP-0996439-A1 | $g(b)-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 2000-05-03 | — | — | EP | disclosed |
| WO-1999002150-A1 | β-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-21 | — | — | WO | disclosed |