Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL533860 | 0.80 | MTNR1A (0.38) | CYP3A4CYP2C9CYP2C19KDM4ELMNA | |
| SCHEMBL28564834 | 0.73 | L3MBTL1 (0.46) | CYP3A4CYP2C9CYP2C19CYSLTR2CYSLTR1 | |
| SCHEMBL534711 | 0.65 | FFAR1 (0.40) | ALDH1A1 | |
| SCHEMBL3930551 | 0.63 | CYSLTR2 (0.49) | CYSLTR2CYSLTR1KDM4E | |
| SCHEMBL228309 | 0.62 | — | — | |
| SCHEMBL28990797 | 0.61 | HPGD (0.37) | KDM4EHPGDALDH1A1 | |
| SCHEMBL28990639 | 0.61 | HPGD (0.37) | KDM4EHPGDALDH1A1 | |
| SCHEMBL28990738 | 0.61 | ADRB1 (0.34) | KDM4ELMNAHPGDALDH1A1 | |
| SCHEMBL28990684 | 0.61 | ADRB1 (0.34) | KDM4ELMNAHPGDALDH1A1 | |
| SCHEMBL310767 | 0.60 | — | — |
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-2413941-A1 | RENIN INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114978-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |