Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PTGIR | P43119 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28611443 | 0.87 | POLB (0.43) | POLBMEN1KMT2ALMNACYP1A2 | |
| SCHEMBL28766231 | 0.77 | POLB (0.40) | POLBCYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL27872649 | 0.75 | PSMB11 (0.41) | POLBLMNACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL28766234 | 0.75 | PSMB11 (0.41) | POLBLMNACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL28614526 | 0.72 | RAB9A (0.46) | POLBMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL28602834 | 0.71 | SLC7A5 (0.38) | KMT2AKDM4E | |
| SCHEMBL28767441 | 0.71 | TSHR (0.41) | POLBMEN1KMT2ALMNACYP1A2 | |
| SCHEMBL28881741 | 0.68 | ALDH1A1 (0.42) | POLBMEN1KMT2ALMNACYP1A2 | |
| SCHEMBL22112689 | 0.67 | NLRP3 (0.46) | POLBMEN1KMT2ALMNANLRP3 | |
| SCHEMBL6224100 | 0.67 | NLRP3 (0.46) | POLBMEN1KMT2ALMNANLRP3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106008665-B | Compound with tumor proliferation inhibition function and preparation method and application thereof | 北京大学 | 2021-03-16 | — | — | CN | disclosed |