Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | F11 | P03951 | 9/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28673880 | 0.89 | KLK7 (0.46) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28673878 | 0.89 | KLK7 (0.46) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28974589 | 0.87 | HDAC8 (0.54) | HDAC8F11 | |
| SCHEMBL28974587 | 0.87 | HDAC8 (0.54) | HDAC8F11 | |
| SCHEMBL28677352 | 0.86 | LEF1 (0.49) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28677350 | 0.86 | LEF1 (0.49) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28680685 | 0.86 | CA12 (0.42) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28680683 | 0.86 | CA12 (0.42) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28681853 | 0.85 | CA12 (0.44) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28602428 | 0.84 | F11 (0.55) | HDAC8F11 |
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-109721539-B | Pyrazole amide derivative and preparation method and application thereof | 天津药物研究院有限公司 | 2021-07-09 | — | — | CN | disclosed |
| CN-109721539-A | Pyrazole amide analog derivative and its preparation method and application | 天津药物研究院有限公司 | 2019-05-07 | — | — | CN | disclosed |