Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL65871 | 0.98 | TP53 (0.46) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL2685431 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Iodide SCHEMBL5086624 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Fluoride Ion SCHEMBL11373889 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Bromide SCHEMBL5088078 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Water SCHEMBL7721938 | 0.95 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL2526828 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Iodide SCHEMBL5086904 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL5085369 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 | |
| Bromide SCHEMBL5091531 | 0.90 | TP53 (0.48) | TP53TRPA1TAAR1SIGMAR1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113788784-A | Preparation method of 2-fluoro-3-trifluoromethylpyridine | 山东省农药科学研究院 | 2021-12-14 | — | — | CN | claimed |
| EP-1318152-B1 | Catalysts and process for preparing polyisocyanates containing isocyanurate groups | DEGUSSA (DE) | 2007-09-19 | — | — | EP | claimed |
| US-6875243-B2 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2005-04-05 | — | — | US | claimed |
| US-20030109665-A1 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2003-06-12 | — | — | US | claimed |
| EP-1318152-A2 | Catalysts and process for preparing polyisocyanates containing isocyanurate groups and their use | Degussa AG (DE) | 2003-06-11 | — | — | EP | claimed |
| EP-1318152-B1 | Catalysts and process for preparing polyisocyanates containing isocyanurate groups | DEGUSSA (DE) | 2007-09-19 | — | — | EP | disclosed |
| US-6875243-B2 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2005-04-05 | — | — | US | disclosed |
| US-20030109665-A1 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2003-06-12 | — | — | US | disclosed |
| EP-1318152-A2 | Catalysts and process for preparing polyisocyanates containing isocyanurate groups and their use | Degussa AG (DE) | 2003-06-11 | — | — | EP | disclosed |