Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 9/20 | 0.41 |
| ▸ | MMP9 | P14780 | 8/20 | 0.41 |
| ▸ | MMP14 | P50281 | 6/20 | 0.41 |
| ▸ | MMP1 | P03956 | 3/20 | 0.41 |
| ▸ | MMP3 | P08254 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1782820 | 0.79 | CRBN (0.55) | CA12CA2CA1CA9ALDH1A1 | |
| SCHEMBL8892467 | 0.78 | CA12 (0.59) | CA12CA2CA1CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28072894 | 0.76 | CA12 (0.57) | CA12CA2CA1CA9ALDH1A1 | |
| SCHEMBL12717520 | 0.75 | MMP2 (0.74) | MMP2MMP9MMP14MMP1MMP3 | |
| SCHEMBL4595077 | 0.75 | CRBN (0.55) | CA2CA1MMP2MMP9MMP14 | |
| SCHEMBL2413925 | 0.75 | PLCG1 (0.59) | CA12CA2CA1CA9MMP2 | |
| SCHEMBL2536571 | 0.75 | MAOA (0.40) | CA2CA1CA9MMP2MMP9 | |
| SCHEMBL11951548 | 0.74 | GLP1R (0.49) | MMP2MMP9MMP14MMP3ALDH1A1 | |
| SCHEMBL28299830 | 0.74 | MAOA (0.40) | MMP2MMP9MMP14MMP1MMP3 | |
| SCHEMBL14727886 | 0.74 | MMP2 (0.76) | CA12CA2CA1CA9MMP2 |
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-107531679-B | Aromatic amide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-07-02 | — | — | CN | disclosed |
| CN-107531679-A | Aromatic amides analog derivative, its preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2018-01-02 | — | — | CN | disclosed |