Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 5/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL6003245 | 0.83 | GRIN2B (0.37) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL5548041 | 0.70 | ALDH1A1 (0.43) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL8251 | 0.70 | NOS2 (0.43) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL7462793 | 0.70 | TRPA1 (0.39) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL4762887 | 0.68 | TRPA1 (0.41) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL6598540 | 0.68 | TSHR (0.50) | TRPA1ALDH1A1CYP3A4MIFHPGD | |
| SCHEMBL1653 | 0.67 | ALDH1A1 (0.55) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL10667652 | 0.67 | TSHR (0.44) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL1852892 | 0.67 | ALDH1A1 (0.40) | GRIN2BTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL11337111 | 0.67 | TP53 (0.44) | GRIN2BTRPA1ALDH1A1CYP3A4MIF |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8329911-B2 | Biphenyl compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. (US) | 2012-12-11 | — | — | US | disclosed |
| WO-2008065500-A2 | HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| EP-0923562-B1 | SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS | BAYER AG (DE) | 2002-10-09 | — | — | EP | disclosed |
| US-6444616-B1 | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-03 | — | — | US | disclosed |
| US-6130225-A | Substituted p-trifluoromethylphenyluracils | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-10 | — | — | US | disclosed |