Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.42 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL705499 | 0.90 | TACR1 (0.38) | TACR1PRKG1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL705734 | 0.88 | TACR1 (0.40) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL707966 | 0.88 | TACR1 (0.40) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL2894433 | 0.83 | TACR1 (0.49) | TACR1PRKG1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL705189 | 0.83 | TACR1 (0.49) | TACR1PRKG1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL13378012 | 0.80 | TACR1 (0.48) | TACR1PRKG1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL13378006 | 0.80 | TACR1 (0.48) | TACR1PRKG1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL704350 | 0.79 | TACR1 (0.47) | TACR1PRKG1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL708714 | 0.79 | TACR1 (0.47) | TACR1PRKG1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL708135 | 0.78 | TACR1 (0.50) | TACR1PRKG1CYP3A4CYP2C8CYP2D6 |
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-2144503-B9 | 4-(octahydro-2H-isoindol-2-yl)-1,3-oxazol-4-one as TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-09-04 | — | — | EP | disclosed |
| EP-2144503-B1 | 4-(octahydro-2H-isoindol-2-yl)-1,3-oxazol-4-one as TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-03-27 | — | — | EP | disclosed |
| US-8124633-B2 | Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2012-02-28 | — | — | US | disclosed |