Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MPI | P34949 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 3/20 | 0.43 |
| ▸ | SRC | P12931 | 2/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2851214 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EMEN1MPI | |
| SCHEMBL30129411 | 0.78 | ERN1 (0.46) | ALDH1A1MAPTKDM4EMEN1MPI | |
| SCHEMBL6076848 | 0.78 | ERN1 (0.46) | ALDH1A1MAPTKDM4EMEN1MPI | |
| SCHEMBL29952796 | 0.78 | ERN1 (0.46) | ALDH1A1MAPTKDM4EMEN1MPI | |
| SCHEMBL6626617 | 0.78 | ERN1 (0.46) | ALDH1A1MAPTKDM4EMEN1MPI | |
| SCHEMBL29952839 | 0.77 | CYP1A2 (0.39) | ALDH1A1MAPTKDM4EMEN1MPI | |
| SCHEMBL8544546 | 0.77 | CYP1A2 (0.39) | ALDH1A1MAPTKDM4EMEN1MPI | |
| SCHEMBL2119952 | 0.75 | ERN1 (0.39) | ALDH1A1MAPTKDM4EMEN1MPI | |
| SCHEMBL4640515 | 0.75 | ERN1 (0.43) | ALDH1A1MAPTKDM4EMEN1MPI | |
| SCHEMBL2214871 | 0.75 | ERN1 (0.39) | ALDH1A1MAPTKDM4EMEN1MPI |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113816900-B | Synthesis method of 2-chloro-5-methylpyridine-3-formaldehyde | 宁夏瑞泰科技股份有限公司 | 2024-06-25 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |