Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 7/20 | 0.40 |
| ▸ | REN | P00797 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27718628 | 1.00 | ACE (0.40) | ACERENLMNACYP2C19HSD17B10 | |
| SCHEMBL10905425 | 0.98 | ACE (0.41) | ACERENLMNACYP2C19HSD17B10 | |
| SCHEMBL16761709 | 0.96 | L3MBTL1 (0.37) | ACE | |
| SCHEMBL6528047 | 0.85 | ACE (0.33) | ACERENLMNACYP2C19HSD17B10 | |
| SCHEMBL3360876 | 0.84 | ACE (0.46) | ACERENLMNACYP2C19HSD17B10 | |
| SCHEMBL7113056 | 0.84 | ACE (0.46) | ACERENLMNACYP2C19HSD17B10 | |
| SCHEMBL10905654 | 0.82 | TSHR (0.39) | ACEREN | |
| SCHEMBL7850459 | 0.82 | ALDH1A1 (0.41) | ACERENHSD17B10 | |
| SCHEMBL7694332 | 0.82 | AR (0.35) | LMNA | |
| SCHEMBL29586626 | 0.81 | GABRP (0.36) | ACEREN |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874299-A2 | VLA-4 ANTAGONISTS | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006115918-A2 | VLA-4 ANTAGONISTS | MERCK & CO., INC. (US) | 2006-11-02 | — | — | WO | disclosed |