Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.59 |
| ▸ | MGLL | Q99685 | 1/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | XBP1 | P17861 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5967465 | 0.98 | MEN1 (0.68) | MEN1KMT2AKDM4ELMNAGAA | |
| SCHEMBL22114353 | 0.87 | EPHX1 (0.64) | MEN1KMT2AKDM4ELMNAGAA | |
| SCHEMBL400282 | 0.86 | MEN1 (0.61) | MEN1KMT2AKDM4ELMNAGAA | |
| SCHEMBL22069676 | 0.84 | ALDH1A1 (0.62) | MEN1KMT2AKDM4ELMNAGAA | |
| SCHEMBL5725415 | 0.83 | KDM4E (0.53) | MEN1KMT2AKDM4ELMNAGAA | |
| SCHEMBL7361479 | 0.83 | KMT2A (0.64) | MEN1KMT2AKDM4ELMNAGAA | |
| SCHEMBL22483461 | 0.81 | LMNA (0.54) | MEN1KMT2ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL13103793 | 0.81 | KMT2A (0.66) | MEN1KMT2AKDM4ELMNAGAA | |
| SCHEMBL22069629 | 0.80 | RECQL (0.60) | MEN1KMT2AKDM4ELMNAGAA | |
| SCHEMBL399917 | 0.80 | MEN1 (0.58) | MEN1KMT2AKDM4ELMNAGAA |
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-112375081-B | Pyrrole [2,3-d ] pyrimidine derivative with CDK4, 6 or 9 inhibiting activity and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2022-04-12 | — | — | CN | disclosed |
| CN-112375081-A | Pyrrole [2,3-d ] pyrimidine derivative with CDK4, 6 or 9 inhibiting activity and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2021-02-19 | — | — | CN | disclosed |