Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL9829442 | 0.79 | TDP1 (0.48) | CYP2A6ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL12375842 | 0.78 | PSMB5 (0.50) | BRD4ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL6919033 | 0.77 | CYP2A6 (0.48) | CYP2A6ALDH1A1KDM4ERAB9ADRD1 | |
| SCHEMBL28202498 | 0.71 | CYP2A6 (0.48) | BRD4CYP2A6ALDH1A1DRD1DRD2 | |
| SCHEMBL4438079 | 0.70 | CYP1A2 (0.53) | ALDH1A1KDM4EMEN1POLBMAPT | |
| SCHEMBL8810056 | 0.69 | BRD4 (0.44) | BRD4CYP2A6ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL19925346 | 0.69 | MKNK1 (0.57) | BRD4CYP2A6ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL29418199 | 0.68 | ALDH1A1 (0.42) | CYP2A6ALDH1A1TDP1DRD1DRD2 | |
| SCHEMBL28585485 | 0.68 | BRD4 (0.42) | BRD4CYP2A6ALDH1A1KDM4ERAB9A | |
| SCHEMBL26704203 | 0.68 | ALDH1A1 (0.48) | BRD4CYP2A6ALDH1A1KDM4ETDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119060276-A | Irreversible bond connected self-polymerization covalent organic framework material, composite electrocatalyst and preparation method and application thereof | 南开大学 | 2024-12-03 | — | — | CN | disclosed |