Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29764757 | 0.84 | MAPT (0.53) | ALDH1A1TP53MAPK10MAPTMEN1 | |
| SCHEMBL11559445 | 0.83 | NPC1 (0.55) | ALDH1A1TP53MAPTMEN1KMT2A | |
| SCHEMBL11559448 | 0.83 | NPC1 (0.55) | ALDH1A1TP53MAPTMEN1KMT2A | |
| SCHEMBL12657665 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TP53MAPK10MAPTMEN1 | |
| SCHEMBL2200065 | 0.78 | PTPN1 (0.61) | ALDH1A1MAPTMEN1KMT2ARAB9A | |
| SCHEMBL27856323 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TP53MAPK10MAPTMEN1 | |
| SCHEMBL21568085 | 0.75 | ALDH1A1 (0.67) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL20438791 | 0.74 | HSD17B10 (0.53) | ALDH1A1TP53MAPTKMT2APOLB | |
| SCHEMBL5071228 | 0.73 | RXFP1 (0.62) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL30890711 | 0.72 | MAPT (0.58) | ALDH1A1MAPTMEN1KMT2APOLB |
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-2021062245-A1 | PYRIDONE COMPOUNDS AND METHODS OF USE IN THE MODULATION OF A PROTEIN KINASE | EXELIXIS, INC. (US) | 2021-04-01 | — | — | WO | disclosed |