Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29404782 | 0.88 | SLC34A1 (0.38) | PARP1TNKSTNKS2HDAC1HDAC2 | |
| SCHEMBL28546114 | 0.82 | FAAH (0.43) | PARP1TNKSTNKS2HDAC1HDAC2 | |
| SCHEMBL29506743 | 0.82 | FAAH (0.43) | PARP1TNKSTNKS2HDAC1HDAC2 | |
| SCHEMBL28533103 | 0.81 | CD74 (0.49) | KDM4EALDH1A1HSD17B10KMT2AL3MBTL1 | |
| SCHEMBL28528135 | 0.78 | AADAT (0.51) | HDAC1POLBALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL28687357 | 0.77 | L3MBTL1 (0.46) | HDAC1HDAC2TSHRKDM4EALDH1A1 | |
| SCHEMBL28531542 | 0.77 | ALDH1A1 (0.43) | POLBKDM4EALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL29774650 | 0.77 | ALDH1A1 (0.43) | POLBKDM4EALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL28521863 | 0.77 | AADAT (0.54) | HDAC1POLBKDM4EALDH1A1KMT2A | |
| SCHEMBL28703394 | 0.77 | SMN1; SMN2 (0.41) | POLBKDM4EALDH1A1KMT2AL3MBTL1 |
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-112300169-B | Pyrrolopyrazole derivative, preparation method and medical application thereof | 上海美迪西生物医药股份有限公司 | 2022-03-04 | — | — | CN | disclosed |
| CN-112300169-A | Pyrrolopyrazole derivative, preparation method and medical application thereof | 上海美迪西生物医药股份有限公司 | 2021-02-02 | — | — | CN | disclosed |