Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD52 | P43351 | 2/20 | 0.52 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 3/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29230134 | 1.00 | RAD52 (0.52) | RAD52DNMT1MAPTPOLBTSHR | |
| SCHEMBL30944974 | 0.89 | DNMT1 (0.66) | RAD52DNMT1MAPTPOLBTSHR | |
| SCHEMBL29230399 | 0.89 | DNMT1 (0.66) | RAD52DNMT1MAPTPOLBTSHR | |
| SCHEMBL29230140 | 0.85 | KDM1A (0.47) | KDM1ACDK4CCND1CCND2CCND3 | |
| SCHEMBL30944961 | 0.84 | POLB (0.56) | RAD52MAPTPOLBKMT2ASMN1; SMN2 | |
| SCHEMBL29230157 | 0.84 | POLB (0.56) | RAD52MAPTPOLBKMT2ASMN1; SMN2 | |
| SCHEMBL29230160 | 0.83 | KDM1A (0.62) | KDM1ASIGMAR1HTR1DCDK4CCND1 | |
| SCHEMBL30944977 | 0.83 | ITGB3 (0.47) | MAPTKMT2AKDM1ACDK4CCND1 | |
| SCHEMBL29230159 | 0.83 | ITGB3 (0.47) | MAPTKMT2AKDM1ACDK4CCND1 | |
| SCHEMBL30945029 | 0.82 | GALR2 (0.50) | RAD52DNMT1MAPTPOLBTSHR |
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-118146151-A | 4-Trifluoromethyl substituted quinoline and quinazoline compound and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2024-06-07 | — | — | CN | disclosed |