Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 6/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | QDPR | P09417 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 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 | |
|---|---|---|---|---|
| SCHEMBL19556801 | 1.00 | HTR6 (0.41) | HTR6ALKHTR2APDK1HTR2C | |
| Tert-Butyl Formate SCHEMBL27788187 | 0.90 | ALK (0.38) | HTR6ALKHTR2APDK1HTR2C | |
| SCHEMBL19174976 | 0.87 | HTR6 (0.43) | HTR6ALKHTR2AHTR2CMEN1 | |
| SCHEMBL17879591 | 0.87 | HTR6 (0.39) | HTR6ALKHTR2AHTR2CMEN1 | |
| SCHEMBL17304107 | 0.83 | HTR6 (0.43) | HTR6ALKHTR2AHTR2CMEN1 | |
| SCHEMBL30640822 | 0.83 | HTR6 (0.43) | HTR6ALKHTR2AHTR2CMEN1 | |
| SCHEMBL19557720 | 0.81 | HTR6 (0.39) | HTR6ALKHTR2AHTR2CMEN1 | |
| SCHEMBL17304117 | 0.80 | BRD4 (0.41) | HTR6ALKHTR2AHTR2CMEN1 | |
| SCHEMBL26041932 | 0.80 | HTR6 (0.39) | HTR6ALKHTR2AHTR2CMEN1 | |
| SCHEMBL1545612 | 0.80 | PDK1 (0.37) | PDK1XDH |
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-118355012-A | Novel heterocyclic substituted pyrimidine derivative exhibiting cancer cell growth inhibitory effect and pharmaceutical composition containing the same | 昂科比克斯有限公司 | 2024-07-16 | — | — | CN | disclosed |