Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TDP2 | O95551 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28100898 | 0.87 | POLB (0.60) | CES2CES1MEN1KMT2AALDH1A1 | |
| Phosphonic Acid SCHEMBL28826321 | 0.86 | TP53 (0.65) | TP53CES2CES1MEN1KMT2A | |
| SCHEMBL333455 | 0.85 | TP53 (0.73) | TP53CES2CES1MEN1KMT2A | |
| Methane SCHEMBL28239824 | 0.84 | TP53 (0.71) | TP53CES2CES1MEN1KMT2A | |
| Iodide SCHEMBL28290571 | 0.84 | TP53 (0.71) | TP53CES2CES1MEN1KMT2A | |
| SCHEMBL27787065 | 0.84 | TP53 (0.71) | TP53CES2CES1MEN1KMT2A | |
| SCHEMBL11295596 | 0.84 | TP53 (0.71) | TP53CES2CES1MEN1KMT2A | |
| SCHEMBL28129120 | 0.84 | TP53 (0.71) | TP53CES2CES1MEN1KMT2A | |
| Phosphine SCHEMBL28281304 | 0.84 | TP53 (0.71) | TP53CES2CES1MEN1KMT2A | |
| Methane SCHEMBL27394350 | 0.84 | TP53 (0.71) | TP53CES2CES1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105968136-B | A kind of preparation method of fragrance phosphonate compound | 北京大学 | 2018-12-07 | — | — | CN | disclosed |
| CN-105968136-A | Preparation method of aromatic phosphonate compound | 北京大学 | 2016-09-28 | — | — | CN | disclosed |