Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4758043 | 0.88 | CRHBP (0.40) | NOTUMCYP2C9LMNAL3MBTL1HDAC4 | |
| SCHEMBL2365028 | 0.85 | TSHR (0.37) | TSHRNOTUMCYP2C9LMNAL3MBTL1 | |
| SCHEMBL9101372 | 0.82 | TSHR (0.37) | TSHRNOTUMCYP2C9LMNAL3MBTL1 | |
| SCHEMBL7418565 | 0.80 | CYP2C9 (0.33) | TSHRNOTUMCYP2C9LMNAL3MBTL1 | |
| SCHEMBL7424308 | 0.78 | ALDH1A1 (0.38) | TSHRNOTUMCYP2C9LMNAL3MBTL1 | |
| SCHEMBL3391587 | 0.77 | KDM4E (0.44) | L3MBTL1KMT2AMEN1MAPTHPGD | |
| SCHEMBL4757323 | 0.77 | SMN1; SMN2 (0.40) | TSHRNOTUMCYP2C9LMNAL3MBTL1 | |
| SCHEMBL4884972 | 0.76 | ABCB11 (0.42) | TSHRNOTUMCYP2C9LMNAL3MBTL1 | |
| SCHEMBL3394045 | 0.73 | MEN1 (0.34) | TSHRLMNAKMT2AMEN1USP2 | |
| SCHEMBL3394019 | 0.72 | CCR2 (0.43) | TSHRNOTUM |
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-2229167-A1 | MINERALOCORTICOID RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009078934-A1 | MINERALOCORTICOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2009-06-25 | — | — | WO | disclosed |