Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28554972 | 0.86 | TDP1 (0.46) | ALDH1A1KDM4ECA12CA1CA2 | |
| Phenol SCHEMBL11594523 | 0.84 | TDP1 (0.52) | ALDH1A1KDM4ECA12CA1CA2 | |
| Methacrylic Acid SCHEMBL28569840 | 0.84 | PAOX (0.39) | ALDH1A1TDP1LMNAMEN1THRB | |
| Phenol SCHEMBL165006 | 0.82 | CA12 (0.55) | ALDH1A1KDM4ECA12CA1CA2 | |
| Phenol SCHEMBL184346 | 0.82 | CA12 (0.55) | ALDH1A1KDM4ECA12CA1CA2 | |
| Phenol SCHEMBL174433 | 0.82 | CA12 (0.55) | ALDH1A1KDM4ECA12CA1CA2 | |
| Phenol SCHEMBL9052733 | 0.82 | CA12 (0.55) | ALDH1A1KDM4ECA12CA1CA2 | |
| Phenol SCHEMBL28210329 | 0.82 | CA12 (0.55) | ALDH1A1KDM4ECA12CA1CA2 | |
| Phenol SCHEMBL1199743 | 0.82 | CA12 (0.55) | ALDH1A1KDM4ECA12CA1CA2 | |
| Phenol SCHEMBL27539669 | 0.80 | CA12 (0.48) | ALDH1A1KDM4ECA12CA1CA2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118047801-A | KRAS inhibitor compound, pharmaceutical composition and application thereof | 广东东阳光药业股份有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-113135924-B | Pyrimidine derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-117886833-A | Pyrimidopyridine compound, pharmaceutical composition and application thereof | 广东东阳光药业股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-117659001-A | Aminopyrimidine derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-114585616-B | Amide derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-115785084-B | Pyrimidine derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-112409332-B | Triazole derivative and application thereof in medicines | 广东东阳光药业股份有限公司 | 2023-12-08 | — | — | CN | disclosed |