Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.61 |
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | DHFR | P00374 | 3/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29009589 | 1.00 | CA2 (0.61) | CA2CA1CA12CA9HDAC1 | |
| SCHEMBL27564186 | 0.88 | CA2 (0.75) | CA2CA1CA12CA9FOLH1 | |
| SCHEMBL11441280 | 0.87 | CA2 (0.56) | CA2CA1CA12CA9HDAC1 | |
| SCHEMBL8379946 | 0.84 | CA2 (0.66) | CA2CA1CA12CA9FOLH1 | |
| SCHEMBL1640055 | 0.84 | CA2 (0.66) | CA2CA1CA12CA9FOLH1 | |
| SCHEMBL9829321 | 0.82 | CA2 (0.54) | CA2CA1CA12CA9FOLH1 | |
| SCHEMBL19462759 | 0.82 | CA2 (0.55) | CA2CA1CA12CA9HDAC1 | |
| SCHEMBL698067 | 0.82 | CA2 (0.67) | CA2CA1CA12CA9FOLH1 | |
| SCHEMBL715646 | 0.82 | CA2 (0.67) | CA2CA1CA12CA9FOLH1 | |
| SCHEMBL97498 | 0.82 | CA2 (0.67) | CA2CA1CA12CA9FOLH1 |
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-116183778-B | Method for detecting methotrexate intermediate and enantiomer thereof by high performance liquid chromatography | 四川汇宇制药股份有限公司 | 2025-05-02 | — | — | CN | disclosed |
| CN-116183778-A | Method for detecting methotrexate intermediate and enantiomer thereof by high performance liquid chromatography | 四川汇宇制药股份有限公司 | 2023-05-30 | — | — | CN | disclosed |