Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CLPP | Q16740 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29506743 | 1.00 | FAAH (0.43) | FAAHKDM4EALDH1A1TSHRHDAC1 | |
| SCHEMBL29463314 | 0.84 | PREP (0.39) | FAAHKDM4EALDH1A1TSHRHDAC1 | |
| SCHEMBL28531542 | 0.84 | ALDH1A1 (0.43) | KDM4EALDH1A1POLBKMT2AHTT | |
| SCHEMBL29774650 | 0.84 | ALDH1A1 (0.43) | KDM4EALDH1A1POLBKMT2AHTT | |
| SCHEMBL28525980 | 0.82 | PARP1 (0.39) | KDM4EALDH1A1TSHRHDAC1HDAC2 | |
| SCHEMBL28687357 | 0.81 | L3MBTL1 (0.46) | FAAHKDM4EALDH1A1TSHRHDAC1 | |
| SCHEMBL28511332 | 0.79 | NAMPT (0.45) | FAAHKDM4EALDH1A1POLBHTR2C | |
| SCHEMBL28703394 | 0.78 | SMN1; SMN2 (0.41) | KDM4EALDH1A1POLBKMT2AHTR2C | |
| SCHEMBL28528135 | 0.75 | AADAT (0.51) | FAAHALDH1A1HDAC1POLBKMT2A | |
| SCHEMBL29774657 | 0.72 | KDM4E (0.43) | FAAHKDM4EALDH1A1TSHRPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112480117-B | Pyrrolopyrazole derivative, preparation method and medical application thereof | 上海美迪西生物医药股份有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-112480118-B | Pyrrolopyrazole derivative, preparation method and medical application thereof | 上海美迪西生物医药股份有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-112480117-A | Pyrrolopyrazole derivative, preparation method and medical application thereof | 上海美迪西生物医药股份有限公司 | 2021-03-12 | — | — | CN | disclosed |
| CN-112480118-A | Pyrrolopyrazole derivative, preparation method and medical application thereof | 上海美迪西生物医药股份有限公司 | 2021-03-12 | — | — | CN | disclosed |