Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22033718 | 0.83 | KMT2A (0.55) | CES2CES1TSHRALDH1A1MAPT | |
| SCHEMBL25269996 | 0.82 | TSHR (0.46) | FFAR3TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL27986214 | 0.81 | CES1 (0.38) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL8363582 | 0.81 | EGLN1 (0.44) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL9737294 | 0.80 | TDP1 (0.45) | FFAR3TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL27927599 | 0.79 | ACLY (0.41) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL28486206 | 0.77 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL28802317 | 0.77 | SLC22A6 (0.48) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL28875311 | 0.77 | CES2 (0.43) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL269663 | 0.77 | CES2 (0.43) | HDAC3HDAC1HDAC2HDAC8FFAR3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002079180-A1 | A METHOD FOR CONVERTING DIHYDROTAGETONE, A BIFUNCTIONAL ACYCLIC MONOTERPENE KETONE INTO 5-ISOBUTYL-3-METHYL-4,5-DIHYDRO-2(3H)-FURANONE AS A ANALOGUE OF NATURAL WHISKY LACTONE AND COCONUT ALDEHYDE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2002-10-10 | — | — | WO | disclosed |
| US-4800231-A | Keto-diesters production | SHELL OIL COMPANY (US) | 1989-01-24 | — | — | US | disclosed |