Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | ELANE | P08246 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28064884 | 0.95 | CES2 (0.58) | CES2CES1ELANECA1CA2 | |
| SCHEMBL28924348 | 0.87 | NPC1 (0.51) | CES2CES1ELANECA1CA2 | |
| SCHEMBL28107191 | 0.87 | MAPT (0.50) | CES2CES1ELANECA1CA2 | |
| SCHEMBL39276 | 0.86 | TDP1 (0.57) | CES2CES1ELANEMAPTATM | |
| SCHEMBL4910445 | 0.80 | CA1 (0.59) | CES2CES1CA1CA2MAPT | |
| SCHEMBL10888997 | 0.79 | CES2 (0.76) | CES2CES1CA1CA2MAPT | |
| SCHEMBL27910598 | 0.79 | CES2 (0.76) | CES2CES1CA1CA2MAPT | |
| SCHEMBL13177651 | 0.79 | CA4 (0.54) | CES2CES1ELANECA1CA2 | |
| SCHEMBL18088853 | 0.79 | KMT2A (0.66) | CES2CES1CA1CA2MAPT | |
| SCHEMBL7633148 | 0.79 | KMT2A (0.66) | CES2CES1CA1CA2MAPT |
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-105566384-A | Method for preparing (E)-2-aryl-alpha, beta-unsaturated carbonyl phosphonate derivative | HENAN INST ENGINEERING | 2016-05-11 | — | — | CN | disclosed |