Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18105408 | 0.74 | KMT2A (0.35) | ALDH1A1MAPK1MAPTCES2CES1 | |
| Propene SCHEMBL28012638 | 0.71 | CES2 (0.45) | ALDH1A1MAPK1MAPTCES2CES1 | |
| SCHEMBL257915 | 0.69 | — | — | |
| SCHEMBL16224774 | 0.69 | CES2 (0.43) | ALDH1A1MAPK1MAPTCES2CES1 | |
| SCHEMBL23715031 | 0.66 | GRM5 (0.34) | ALDH1A1 | |
| SCHEMBL9216789 | 0.65 | CES2 (0.46) | ALDH1A1MAPK1MAPTCES2CES1 | |
| SCHEMBL559144 | 0.65 | CES2 (0.56) | ALDH1A1MAPK1MAPTCES2CES1 | |
| SCHEMBL5640669 | 0.65 | — | — | |
| SCHEMBL13656481 | 0.65 | CES2 (0.56) | ALDH1A1MAPK1MAPTCES2CES1 | |
| SCHEMBL2789585 | 0.65 | CES2 (0.56) | ALDH1A1MAPK1MAPTCES2CES1 |
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-2183027-B1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2011-08-31 | — | — | EP | disclosed |