Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | CPN1 | P15169 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22657050 | 0.89 | ACE (0.41) | ACEALDH1A1CPN1CPB2EPHX1 | |
| SCHEMBL5950198 | 0.82 | ACE (0.35) | ACEALDH1A1 | |
| SCHEMBL16829632 | 0.81 | ALDH1A1 (0.36) | ALDH1A1NPC1 | |
| SCHEMBL23754410 | 0.81 | ACE (0.38) | ACE | |
| SCHEMBL2671746 | 0.81 | NCF1 (0.43) | ACEJAK2JAK1TYK2JAK3 | |
| SCHEMBL18227121 | 0.81 | CPN1 (0.42) | ACEALDH1A1CPN1CPB2EPHX2 | |
| SCHEMBL21551177 | 0.80 | ALDH1A1 (0.34) | ALDH1A1NPC1 | |
| Acetic Acid SCHEMBL9900974 | 0.80 | ACE (0.46) | ACEJAK2JAK1TYK2JAK3 | |
| SCHEMBL17942326 | 0.79 | CYP2C19 (0.38) | ALDH1A1CPN1CPB2 | |
| Acetic Acid SCHEMBL9900145 | 0.78 | ACE (0.45) | ACEJAK2JAK1TYK2JAK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3247707-A1 | 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS FOR THE TREATMENT OF DILATED CARDIOMYOPATHY (DCM) | Myokardia, Inc. (US) | 2017-11-29 | — | — | EP | disclosed |
| WO-2016118774-A1 | 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS FOR THE TREATMENT OF DILATED CARDIOMYOPATHY (DCM) | MyoKardia, Inc. (US) | 2016-07-28 | — | — | WO | disclosed |
| CN-102292328-A | N-substituted saturated heterocyclic sulfone compounds with cb2 receptor agonistic activity | — | 2011-12-21 | — | — | CN | disclosed |