Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5146737 | 0.99 | KMT2A (0.43) | TSHRKMT2ARENMEN1NPSR1 | |
| SCHEMBL4562477 | 0.96 | KMT2A (0.41) | TSHRKMT2ARENCYP2D6MCOLN3 | |
| SCHEMBL5272001 | 0.94 | TACR1 (0.38) | TSHRKMT2ARENMEN1NPSR1 | |
| SCHEMBL21226969 | 0.80 | TSHR (0.46) | TSHRKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL4689407 | 0.78 | NOTCH1 (0.45) | — | |
| SCHEMBL3374916 | 0.76 | TSHR (0.43) | TSHRKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL3374749 | 0.74 | KMT2A (0.41) | TSHRKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL3370029 | 0.72 | KMT2A (0.39) | TSHRKMT2AMCOLN3TACR1MRGPRX1 | |
| SCHEMBL6666064 | 0.71 | HIF1A (0.61) | TSHRKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL5721057 | 0.71 | CNR1 (0.56) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1499306-A4 | BICYCLIC AMIDES | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | disclosed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2004048317-A1 | SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR | MERCK & CO., INC. (US) | 2004-06-10 | — | — | WO | disclosed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |