Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.39 |
| ▸ | PPARG | P37231 | 6/20 | 0.39 |
| ▸ | PPARD | Q03181 | 6/20 | 0.39 |
| ▸ | PPARA | Q07869 | 6/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9495911 | 0.91 | GPR84 (0.52) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL6067638 | 0.86 | HDAC1 (0.43) | CES1CES2ALDH1A1AKR1B1CA2 | |
| SCHEMBL6067592 | 0.77 | CES1 (0.39) | CES1CES2ALDH1A1TP53TSHR | |
| SCHEMBL11798923 | 0.75 | AKR1B1 (0.45) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL10903055 | 0.74 | AKR1B1 (0.48) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL10594885 | 0.74 | AKR1B1 (0.48) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL6522673 | 0.70 | — | — | |
| SCHEMBL7319924 | 0.70 | CES2 (0.56) | CES2ALDH1A1AKR1B1GPR84PPARG | |
| SCHEMBL14091098 | 0.69 | — | — | |
| SCHEMBL22883546 | 0.69 | — | — |
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-2006100606-A2 | PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION | WARNER-LAMBERT COMPANY LLC (US) | 2006-09-28 | — | — | WO | claimed |
| WO-2006100606-A2 | PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION | WARNER-LAMBERT COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |