Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28116296 | 0.89 | RIPK1 (0.60) | HDAC1HDAC7RIPK1CYP1A2CYP2C19 | |
| SCHEMBL28116788 | 0.86 | LMNA (0.55) | RIPK1CYP1A2CYP2C19ALDH1A1POLB | |
| SCHEMBL21199265 | 0.80 | SOS1 (0.52) | HDAC1HDAC7ALDH1A1POLBPKM | |
| SCHEMBL28116674 | 0.80 | RIPK1 (0.46) | RIPK1CYP1A2CYP2C19ALDH1A1POLB | |
| SCHEMBL28116676 | 0.78 | PKM (0.44) | CYP1A2CYP2C19ALDH1A1POLBPKM | |
| SCHEMBL17316707 | 0.77 | PKM (0.43) | CYP1A2CYP2C19ALDH1A1POLBPKM | |
| SCHEMBL17316704 | 0.76 | LMNA (0.44) | ALDH1A1POLBPKMLMNAKMT2A | |
| SCHEMBL17316714 | 0.75 | PKM (0.41) | CYP1A2CYP2C19ALDH1A1POLBPKM | |
| SCHEMBL19086892 | 0.75 | ALDH1A1 (0.67) | HDAC1HDAC7RIPK1ALDH1A1TDP1 | |
| SCHEMBL27925763 | 0.75 | HDAC1 (0.49) | HDAC1HDAC7RIPK1ALDH1A1TDP1 |
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-105669558-B | Benzyl -1H- pyrazoles, benzyl -1H- azole derivatives and its preparation method and application | 四川大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-106146400-A | Benzyl-1H-pyrazoles, benzyl-1H-azole derivatives and its production and use | 四川大学 | 2016-11-23 | — | — | CN | disclosed |