Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.44 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 5/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4311547 | 0.87 | WDR5 (0.59) | WDR5LDHACDC25BP2RX1P2RX3 | |
| SCHEMBL1603439 | 0.75 | PTPN22 (0.54) | KDM4EKMT2AMEN1ALDH1A1CYP2A6 | |
| SCHEMBL7308996 | 0.75 | ALDH1A1 (0.44) | P2RX1P2RX3P2RX4P2RX7CNR2 | |
| SCHEMBL11436705 | 0.74 | MAPT (0.42) | WDR5LDHACDC25BCNR2NR4A1 | |
| SCHEMBL2513921 | 0.72 | HSD17B10 (0.46) | CNR2KDM4EKMT2AMEN1ALDH1A1 | |
| SCHEMBL27623522 | 0.72 | LDHA (0.74) | WDR5LDHAKDM4EKMT2AMEN1 | |
| SCHEMBL3704184 | 0.71 | CYP2A6 (0.54) | KDM4EKMT2AMEN1ALDH1A1CYP2A6 | |
| SCHEMBL9369941 | 0.71 | TSHR (0.54) | KDM4EKMT2AMEN1ALDH1A1CYP2A6 | |
| SCHEMBL11245679 | 0.71 | ALDH1A1 (0.52) | KDM4EKMT2AMEN1ALDH1A1CYP2A6 | |
| SCHEMBL295041 | 0.71 | TSHR (0.54) | WDR5LDHACDC25BCNR2NR4A1 |
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-104844410-A | Synthetic method of 1, 1-2 fluorine - 1, 3 - acetylene compounds | UNIV BEIJING | 2015-08-19 | — | — | CN | disclosed |