Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 8/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | RECQL | P46063 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | SLC22A3 | O75751 | 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 | |
|---|---|---|---|---|
| SCHEMBL16627925 | 0.83 | TSHR (0.50) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL18534818 | 0.83 | CYP3A4 (0.39) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL22342952 | 0.78 | — | — | |
| SCHEMBL28568064 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| Guanidine SCHEMBL10918002 | 0.71 | THRB (0.44) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL4871529 | 0.71 | ALDH1A1 (0.55) | ALDH1A1TSHRKDM4EMEN1MAPT | |
| SCHEMBL1547514 | 0.71 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL320209 | 0.71 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL94930 | 0.71 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL14625071 | 0.69 | NPSR1 (0.34) | MAPTLMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3202766-B1 | ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR | DAIICHI SANKYO CO LTD (JP) | 2019-12-25 | — | — | EP | disclosed |