Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 5/20 | 0.32 |
| ▸ | CTSD | P07339 | 2/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1948947 | 0.81 | AKR1B1 (0.34) | RIPK1AKR1B1AKR1B10AKR1A1 | |
| SCHEMBL1846342 | 0.73 | CMA1 (0.31) | — | |
| SCHEMBL1948941 | 0.63 | PGR (0.41) | — | |
| SCHEMBL10195688 | 0.58 | RIPK1 (0.49) | RIPK1 | |
| SCHEMBL2652556 | 0.55 | RIPK1 (0.44) | RIPK1 | |
| SCHEMBL147511 | 0.55 | RIPK1 (0.41) | RIPK1 | |
| SCHEMBL489929 | 0.55 | RIPK1 (0.41) | RIPK1 | |
| SCHEMBL8511471 | 0.54 | CYP26A1 (0.41) | AKR1B1 | |
| SCHEMBL1173345 | 0.54 | AKR1B1 (0.50) | BACE1CTSDAKR1B1AKR1A1BACE2 | |
| SCHEMBL1854240 | 0.53 | HTR2A (0.44) | — |
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-2323482-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010017048-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |