Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.62 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MITF | O75030 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7842426 | 0.87 | CES1 (0.66) | CES1CES2MAPK1TDP1POLB | |
| SCHEMBL7842423 | 0.87 | CES1 (0.66) | CES1CES2MAPK1TDP1POLB | |
| SCHEMBL7852918 | 0.87 | CES1 (0.66) | CES1CES2MAPK1TDP1POLB | |
| SCHEMBL11224088 | 0.84 | CES1 (0.62) | CES1CES2MAPK1TDP1POLB | |
| SCHEMBL11224077 | 0.84 | CES1 (0.62) | CES1CES2MAPK1TDP1POLB | |
| SCHEMBL4863098 | 0.82 | CES2 (0.50) | CES1CES2MAPK1TDP1POLB | |
| SCHEMBL12168643 | 0.81 | MAPK1 (0.61) | CES1CES2MAPK1TDP1POLB | |
| SCHEMBL28385832 | 0.80 | MTNR1A (0.48) | CES1CES2MAPK1TDP1POLB | |
| SCHEMBL27573431 | 0.80 | MTNR1A (0.48) | CES1CES2MAPK1TDP1POLB | |
| SCHEMBL27498418 | 0.80 | MTNR1A (0.48) | CES1CES2MAPK1TDP1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014037963-A1 | A PROCESS FOR THE SYNTHESIS OF β, ƴ UNSATURATED KETONES | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2014-03-13 | — | — | WO | disclosed |