Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9475726 | 0.89 | PLK1 (0.51) | PLK1NQO1PARP10POLBNPC1 | |
| SCHEMBL9475980 | 0.89 | ALDH1A1 (0.49) | POLBALDH1A1CYP1A2KDM4ELMNA | |
| SCHEMBL9477232 | 0.87 | PLK1 (0.46) | PLK1NQO1PARP10POLBNPC1 | |
| SCHEMBL9475612 | 0.86 | TP53 (0.51) | TSHR | |
| SCHEMBL9474430 | 0.84 | PLK1 (0.44) | PLK1NQO1PARP10POLBNPC1 | |
| SCHEMBL9475499 | 0.84 | PPARA (0.50) | POLBALDH1A1CYP1A2EPHX2LMNA | |
| SCHEMBL9475925 | 0.83 | MAPT (0.43) | NPC1ALDH1A1CYP1A2RAB9AEPHX2 | |
| SCHEMBL9475755 | 0.83 | NPC1 (0.51) | POLBNPC1ALDH1A1RAB9ALMNA | |
| SCHEMBL27916287 | 0.81 | CES1 (0.56) | POLBALDH1A1MEN1KMT2AGAA | |
| SCHEMBL16568748 | 0.80 | PLK1 (0.49) | PLK1NQO1PARP10POLBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5243066-A | ALKYL 2-ARYL-2,2-DIALKOXYACETATES, THE PREPARATION THEREOF AND A METHOD OF USING THEM FOR PREPARING ARYLGLYOXYLIC ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-07 | — | — | US | disclosed |