Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | UBE2N | P61088 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2221815 | 0.79 | CYP2C9 (0.73) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 | |
| SCHEMBL2220616 | 0.78 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 | |
| SCHEMBL2264904 | 0.77 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 | |
| SCHEMBL11389512 | 0.76 | NPC1 (0.67) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 | |
| SCHEMBL2222125 | 0.75 | POLB (0.55) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 | |
| SCHEMBL11406404 | 0.74 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 | |
| SCHEMBL13506227 | 0.73 | ALDH1A1 (0.73) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 | |
| SCHEMBL518765 | 0.72 | MAPT (0.58) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 | |
| SCHEMBL518764 | 0.72 | MAPT (0.58) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 | |
| SCHEMBL2266253 | 0.70 | UBE2N (0.62) | ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1 |
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-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |