Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | CDK9 | P50750 | 1/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30141974 | 0.93 | CCNT1 (0.52) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL30831604 | 0.93 | CCNT1 (0.52) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL8154563 | 0.93 | CCNT1 (0.52) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| Ammonia Solution, Strong SCHEMBL1121071 | 0.92 | CCNT1 (0.51) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL27845665 | 0.84 | TTR (0.47) | ALDH1A1CYP2D6KDM4ESCN9A | |
| SCHEMBL27534760 | 0.82 | CCNT1 (0.49) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL10601314 | 0.82 | MAPK9 (0.43) | CCNT1CCNA2CDK2CDK9CCNA1 | |
| SCHEMBL28456060 | 0.81 | SMN1; SMN2 (0.59) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL1445133 | 0.79 | CCNT1 (0.60) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 | |
| SCHEMBL21742568 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP3A4HSD17B10ALDH1A1TDP1 |
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-106496127-B | A kind of preparation method of polysubstituted pyrimidine | 苏州大学 | 2019-09-27 | — | — | CN | disclosed |
| CN-106496127-A | A kind of preparation method of polysubstituted pyrimidine | 苏州大学 | 2017-03-15 | — | — | CN | disclosed |