Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 4/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691471 | 0.99 | EPHX1 (0.43) | EPHX1SLC6A2SLC6A4CNR1MGLL | |
| SCHEMBL4562479 | 0.99 | EPHX1 (0.43) | EPHX1SLC6A2SLC6A4CNR1MGLL | |
| SCHEMBL5272005 | 0.96 | TACR1 (0.41) | EPHX1SLC6A2SLC6A4CNR1MGLL | |
| SCHEMBL4689408 | 0.79 | MGLL (0.53) | MGLL | |
| SCHEMBL3374749 | 0.77 | KMT2A (0.41) | EPHX1CNR1DRD2DRD3CNR2 | |
| SCHEMBL3374916 | 0.76 | TSHR (0.43) | EPHX1CNR1DRD2DRD3CNR2 | |
| SCHEMBL3370029 | 0.75 | KMT2A (0.39) | EPHX1CNR1DRD2DRD3CNR2 | |
| SCHEMBL3374707 | 0.74 | CNR1 (0.40) | SLC6A2SLC6A4CNR1DRD2DRD3 | |
| SCHEMBL202051 | 0.73 | CNR1 (0.52) | CNR1CNR2 | |
| SCHEMBL21226969 | 0.72 | TSHR (0.46) | SLC6A2SLC6A4CNR1DRD2DRD3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663113-A4 | SUBSTITUTED SULFONAMIDES | MERCK & CO INC (US) | 2007-06-13 | — | — | EP | disclosed |
| EP-1494997-A4 | SUBSTITUTED ARYL AMIDES | MERCK & CO INC (US) | 2007-04-11 | — | — | EP | disclosed |
| EP-1499306-A4 | BICYCLIC AMIDES | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | disclosed |
| EP-1663113-A2 | SUBSTITUTED SULFONAMIDES | Merck & Co., Inc. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005027837-A2 | SUBSTITUTED SULFONAMIDES | MERCK & CO., INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-1494997-A1 | SUBSTITUTED ARYL AMIDES | Merck & Co., Inc. (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003087037-A1 | SUBSTITUTED ARYL AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |