Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22670302 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL10210873 | 0.83 | BRD4 (0.52) | CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL3407971 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL21681359 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL1006925 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL27960281 | 0.80 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL29420499 | 0.76 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL6799668 | 0.76 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL30148765 | 0.75 | KCNQ4 (0.41) | CYP3A4CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL18566683 | 0.74 | ADH1B (0.39) | BRD4MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1332964-C | Plasma carboxypeptidase B inhibitors | SCHERING AG (DE) | 2007-08-22 | — | — | CN | disclosed |
| CN-1656107-A | Plasma carboxypeptidase B inhibitors | SCHERING AG (DE) | 2005-08-17 | — | — | CN | disclosed |