Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | STAT3 | P40763 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6636035 | 0.91 | KDM4E (0.42) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6763422 | 0.90 | KDM4E (0.50) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6860781 | 0.90 | HSD17B10 (0.44) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6853056 | 0.90 | KDM4E (0.41) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6635602 | 0.89 | KDM4E (0.40) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6634965 | 0.88 | KDM4E (0.40) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6633539 | 0.85 | HSD17B10 (0.43) | HSD17B10STAT6CA2HSD17B2CA1 | |
| SCHEMBL6635736 | 0.84 | STAT6 (0.42) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6852711 | 0.83 | ACHE (0.51) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL6858285 | 0.83 | HSD17B10 (0.42) | SMN1; SMN2CYP1A2CYP2D6CYP2C19HSD17B10 |
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 |