Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 3/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24469516 | 1.00 | CYP3A4 (0.67) | CYP3A4CYP2B6HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL24469572 | 1.00 | CYP3A4 (0.67) | CYP3A4CYP2B6HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL24469574 | 0.95 | CYP3A4 (0.64) | CYP3A4CYP2B6HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL29666975 | 0.95 | CYP3A4 (0.64) | CYP3A4CYP2B6HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL24469575 | 0.95 | CYP3A4 (0.64) | CYP3A4CYP2B6HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL24469576 | 0.95 | CYP3A4 (0.64) | CYP3A4CYP2B6HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL24469549 | 0.84 | CYP3A4 (0.59) | CYP3A4CYP2B6HTTSMN1; SMN2 | |
| SCHEMBL24469529 | 0.84 | CYP3A4 (0.59) | CYP3A4CYP2B6HTTSMN1; SMN2 | |
| SCHEMBL24469573 | 0.84 | CYP3A4 (0.59) | CYP3A4CYP2B6HTTSMN1; SMN2 | |
| SCHEMBL16356141 | 0.82 | CYP3A4 (0.78) | CYP3A4CYP2B6HTTSMN1; SMN2KMT2A |
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-116507621-A | Pyrimidine diketone derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-07-28 | — | — | CN | disclosed |