Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | STAT6 | P42226 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL6635602 | 0.97 | KDM4E (0.40) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6634965 | 0.97 | KDM4E (0.40) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6636035 | 0.95 | KDM4E (0.42) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6763361 | 0.91 | PDE5A (0.43) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6858285 | 0.91 | HSD17B10 (0.42) | SMN1; SMN2STAT6HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL6860829 | 0.90 | KDM4E (0.51) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6238004 | 0.89 | PDE5A (0.42) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6635949 | 0.88 | HSD17B10 (0.41) | STAT6HSD17B10TRPV1CA1CA2 | |
| SCHEMBL6235799 | 0.88 | PDE5A (0.42) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6635468 | 0.87 | HSD17B10 (0.41) | STAT6HSD17B10TRPV1CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6787548-B1 | CARDIOVASCULAR INSUFFICIENCY AND ERECTILE DYSFUNCTION; 3-(4-(3-CHLORO-4-HYDROXYBENZYLAMINO) BENZO(4,5)THIENO(2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 2004-09-07 | — | — | US | disclosed |