Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4102305 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CYP1A2MEN1KMT2A | |
| SCHEMBL216389 | 0.81 | CYP1A2 (0.48) | ALDH1A1CYP2A6CYP1A2MEN1KMT2A | |
| SCHEMBL1666511 | 0.78 | KIF11 (0.42) | ALDH1A1CYP2A6MEN1KMT2ATDP1 | |
| SCHEMBL7841913 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP2A6CYP1A2KIF11HSD17B10 | |
| SCHEMBL28131156 | 0.78 | KIF11 (0.42) | ALDH1A1CYP2A6TDP1KIF11HSD17B10 | |
| SCHEMBL24215272 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP2A6KIF11VCAM1HSD17B10 | |
| SCHEMBL9670965 | 0.77 | CYP1A2 (0.57) | ALDH1A1CYP2A6CYP1A2TDP1KIF11 | |
| SCHEMBL9098185 | 0.77 | PLAU (0.53) | ALDH1A1CYP1A2TDP1KIF11RAB9A | |
| SCHEMBL4108450 | 0.77 | PTGER4 (0.43) | ALDH1A1CYP2A6MEN1KMT2AKIF11 | |
| SCHEMBL29951355 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CYP1A2MEN1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112638891-B | Trifluoropyruvyl fluoride dimer and method for producing perfluoro (2, 4-dimethyl-2-fluoro formyl-1, 3-dioxolane) | 东曹株式会社 | 2024-12-10 | — | — | CN | disclosed |
| WO-2019196714-A1 | N-SUBSTITUTED ACRYLAMIDE DERIVATIVE AS DHODH INHIBITOR, AND PREPARATION AND USE THEREOF | 华东理工大学 | 2019-10-17 | — | — | WO | 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 |
| WO-2002088096-A1 | COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF | NEURO3D (FR) | 2002-11-07 | — | — | WO | disclosed |
| US-6355799-B1 | PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS | ISK AMERICAS INCORPORATED | 2002-03-12 | — | — | US | disclosed |