Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24803696 | 0.83 | KDM4E (0.39) | TSHRSMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL24803697 | 0.83 | KMT2A (0.43) | TSHRALDH1A1NPC1KMT2AMEN1 | |
| SCHEMBL30772180 | 0.83 | KMT2A (0.43) | TSHRALDH1A1NPC1KMT2AMEN1 | |
| SCHEMBL14693750 | 0.81 | PTGS2 (0.51) | TSHRSMN1; SMN2ALDH1A1MAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL30772191 | 0.81 | KDM4E (0.38) | TSHRSMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL30148611 | 0.81 | TSHR (0.39) | TSHRSMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL21438076 | 0.81 | NLRP3 (0.47) | SMN1; SMN2ALDH1A1LMNAMAPTHSD17B10 | |
| SCHEMBL13696433 | 0.80 | SMN1; SMN2 (0.46) | TSHRSMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL7120048 | 0.79 | CTBP2 (0.51) | TSHRALDH1A1MAPTNPC1KMT2A | |
| SCHEMBL24802429 | 0.78 | ALDH1A1 (0.45) | TSHRALDH1A1MAPTHSD17B10KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |