Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.35 |
| ▸ | FADS1 | O60427 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20997695 | 0.78 | CES2 (0.43) | ALDH1A1MAPTGAAALOX15SMN1; SMN2 | |
| SCHEMBL20998033 | 0.78 | NPC1 (0.37) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL20997721 | 0.78 | MAOA (0.44) | ALDH1A1MAPTGAASMN1; SMN2CYP3A4 | |
| SCHEMBL20997705 | 0.78 | POLB (0.44) | ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL20997888 | 0.75 | BCAT2 (0.48) | ALDH1A1HSD17B10GAASMN1; SMN2TSHR | |
| SCHEMBL20997851 | 0.73 | CTSD (0.59) | HSD17B10MAPTGAASMN1; SMN2TSHR | |
| SCHEMBL22667899 | 0.71 | MAPT (0.43) | ALDH1A1HSD17B10CFTRMAPTGAA | |
| SCHEMBL20997692 | 0.71 | MAOA (0.39) | ALDH1A1HSD17B10MAPTALOX15SMN1; SMN2 | |
| SCHEMBL24016418 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CFTRMAPTGAA | |
| SCHEMBL25111828 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CFTRMAPTGAA |
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-2018119036-A1 | PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS | JANSSEN BIOTECH, INC. (US) | 2018-06-28 | — | — | WO | disclosed |