Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL29289406 | 0.91 | ALDH1A1 (0.48) | ALDH1A1MAPK1TDP1BACE1AKR1C3 | |
| SCHEMBL11617746 | 0.89 | ALDH1A1 (0.58) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL14183910 | 0.89 | ALDH1A1 (0.58) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28705778 | 0.89 | ALDH1A1 (0.58) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL14436100 | 0.89 | ALDH1A1 (0.58) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29289412 | 0.84 | ALDH1A1 (0.70) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15509348 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15509349 | 0.84 | MAPK1 (0.52) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10052789 | 0.83 | ALDH1A1 (0.62) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL21065678 | 0.83 | ALDH1A1 (0.62) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A |
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-105555402-A | Metathesis catalyst and reaction using the same | XIMO AG | 2016-05-04 | — | — | CN | disclosed |