Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9474872 | 0.88 | ALDH1A1 (0.44) | PLK1EPHX2NR1H4NPC1RAB9A | |
| SCHEMBL9474430 | 0.88 | PLK1 (0.44) | PLK1EPHX2NR1H4PARP10NQO1 | |
| SCHEMBL9475390 | 0.88 | PPARA (0.40) | EPHX2NR1H4SMN1; SMN2MEN1LMNA | |
| SCHEMBL9474656 | 0.86 | TP53 (0.49) | — | |
| SCHEMBL9474408 | 0.86 | SMN1; SMN2 (0.40) | EPHX2NR1H4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9476412 | 0.84 | PLK1 (0.50) | PLK1EPHX2NR1H4PARP10NQO1 | |
| SCHEMBL9477232 | 0.84 | PLK1 (0.46) | PLK1EPHX2NR1H4PARP10NQO1 | |
| SCHEMBL9474980 | 0.84 | NPC1 (0.44) | NPC1RAB9APOLBSMN1; SMN2MEN1 | |
| SCHEMBL9478131 | 0.76 | PPARA (0.50) | EPHX2POLBCYP1A2ALDH1A1 | |
| SCHEMBL9475002 | 0.76 | PPARA (0.40) | PLK1EPHX2NR1H4NPC1RAB9A |
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 |