Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28613043 | 0.76 | KDM4E (0.62) | ALDH1A1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL6225034 | 0.75 | LTA4H (0.58) | ALDH1A1MEN1KMT2ALMNACYP1A2 | |
| SCHEMBL28587717 | 0.74 | POLB (0.42) | ALDH1A1MEN1KMT2AKDM4ETDP1 | |
| SCHEMBL20718803 | 0.71 | TDP1 (0.44) | ALDH1A1MEN1KMT2ALMNACYP2C19 | |
| SCHEMBL30792048 | 0.70 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ALMNACYP1A2 | |
| SCHEMBL30969301 | 0.70 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL28619107 | 0.69 | MAPT (0.40) | ALDH1A1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL5242569 | 0.69 | TDP1 (0.63) | ALDH1A1MEN1KMT2ALMNACYP1A2 | |
| SCHEMBL28622668 | 0.69 | HRH3 (0.52) | ALDH1A1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL447689 | 0.69 | CYP2D6 (0.59) | ALDH1A1MEN1KMT2ALMNACYP1A2 |
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-107400092-B | Pyrimidine derivative, preparation method thereof and application thereof in medicine | 浙江海正药业股份有限公司 | 2021-08-24 | — | — | CN | disclosed |