Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NCK1 | P16333 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4022260 | 0.85 | ASIC3 (0.33) | CYP2A6CYP1A2 | |
| SCHEMBL5182331 | 0.78 | CYP1A2 (0.35) | CYP2A6CYP1A2 | |
| SCHEMBL806471 | 0.77 | CYP2A6 (0.59) | CYP2A6CYP1A2TDP1ALDH1A1 | |
| SCHEMBL13663703 | 0.77 | CYP2A6 (0.59) | CYP2A6CYP1A2TDP1CA12CA9 | |
| SCHEMBL308248 | 0.77 | CYP1A2 (1.00) | CYP2A6CYP1A2TDP1CA12CA9 | |
| SCHEMBL29389285 | 0.77 | CYP1A2 (1.00) | CYP2A6CYP1A2TDP1CA12CA9 | |
| SCHEMBL69325 | 0.76 | CES2 (0.43) | CYP2A6CYP1A2TDP1CA9ALDH1A1 | |
| SCHEMBL19497056 | 0.76 | CYP1A2 (0.56) | CYP2A6CYP1A2TDP1CA12CA9 | |
| SCHEMBL16289213 | 0.76 | CYP1A2 (0.56) | CYP2A6CYP1A2TDP1CA12CA9 | |
| SCHEMBL55751 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114276352-A | Carbon-11 labeled Larotrectinib compound and preparation method thereof | 上海健康医学院 | 2022-04-05 | — | — | CN | disclosed |
| US-RE39590-E1 | Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them | ISK AMERICAS INCORPORATED (US) | 2007-04-24 | — | — | US | disclosed |
| CN-1680274-A | Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them | ISK AMERICAS INC (US) | 2005-10-12 | — | — | CN | disclosed |
| CN-1673219-A | Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them | ISK AMERICAS INC (US) | 2005-09-28 | — | — | CN | disclosed |
| US-6545161-B2 | Potato and corn crops | ISK AMERICAS INCORPORATED | 2003-04-08 | — | — | US | disclosed |
| US-6355799-B1 | PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS | ISK AMERICAS INCORPORATED | 2002-03-12 | — | — | US | disclosed |