Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAT2A | P31153 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14741002 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KMT2AGAAL3MBTL1KDM4E | |
| SCHEMBL7541462 | 0.76 | KCNH2 (0.47) | ALDH1A1MAT2AKCNH2KMT2AGAA | |
| SCHEMBL28118171 | 0.72 | THRB (0.35) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL13170115 | 0.70 | CES2 (0.62) | KMT2AHPGDCES2CES1MEN1 | |
| SCHEMBL8812406 | 0.70 | ALDH1A1 (0.59) | ALDH1A1KMT2AGAAL3MBTL1KDM4E | |
| SCHEMBL27872658 | 0.70 | RAB9A (0.49) | ALDH1A1KMT2AGAAKDM4EMAPT | |
| SCHEMBL10818690 | 0.68 | ALDH1A1 (0.59) | ALDH1A1KMT2AGAAL3MBTL1KDM4E | |
| SCHEMBL11304149 | 0.67 | ALDH1A1 (0.56) | ALDH1A1KMT2AGAAL3MBTL1KDM4E | |
| SCHEMBL5983400 | 0.67 | ALDH1A1 (0.46) | ALDH1A1KCNH2KMT2AL3MBTL1KDM4E | |
| SCHEMBL11330475 | 0.66 | L3MBTL1 (0.43) | ALDH1A1KMT2AL3MBTL1KDM4EMAPT |
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-109096178-A | Phenylethynyl substituted benzenes and heterocycles useful for the treatment of cancer and uses thereof | 肯塔基大学研究基金会 | 2018-12-28 | — | — | CN | disclosed |