Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 5/20 | 0.58 |
| ▸ | MMP2 | P08253 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28291196 | 1.00 | MMP13 (0.58) | MMP13MMP2KDM4EALDH1A1HPGD | |
| SCHEMBL28677352 | 0.93 | LEF1 (0.49) | MMP13LEF1CTNNB1CA12CA1 | |
| SCHEMBL28677350 | 0.93 | LEF1 (0.49) | MMP13LEF1CTNNB1CA12CA1 | |
| SCHEMBL23466599 | 0.89 | MMP13 (0.55) | MMP13MMP2KDM4EALDH1A1HPGD | |
| SCHEMBL29758100 | 0.89 | MMP13 (0.55) | MMP13MMP2KDM4EALDH1A1HPGD | |
| SCHEMBL23466603 | 0.89 | MMP13 (0.55) | MMP13MMP2KDM4EALDH1A1HPGD | |
| SCHEMBL28746480 | 0.85 | MMP13 (0.53) | MMP13MMP2KDM4EALDH1A1HPGD | |
| SCHEMBL28292652 | 0.85 | MMP13 (0.53) | MMP13MMP2KDM4EALDH1A1HPGD | |
| SCHEMBL28746481 | 0.85 | MMP13 (0.53) | MMP13MMP2KDM4EALDH1A1HPGD | |
| SCHEMBL23486835 | 0.85 | LEF1 (0.47) | MMP13LEF1CTNNB1HDAC4HDAC1 |
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 |