Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | PPARG | P37231 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 7/20 | 0.50 |
| ▸ | PPARA | Q07869 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5878832 | 0.89 | AKR1B1 (0.62) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL14360827 | 0.86 | GABRP (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL4001668 | 0.86 | GABRP (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| Bicarbonate SCHEMBL6442737 | 0.85 | CA2 (0.52) | AKR1B1GPR84PPARDTDP1FFAR1 | |
| SCHEMBL14360718 | 0.85 | GABRP (0.62) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL14360059 | 0.84 | ALDH1A1 (0.53) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL3707007 | 0.84 | CYP1A2 (0.47) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL5879061 | 0.83 | FFAR4 (0.71) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL5878898 | 0.83 | FFAR4 (0.71) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL5878815 | 0.83 | FFAR4 (0.71) | AKR1B1GPR84PPARGPPARDPPARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1863780-A1 | PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN | Pharmacia & Upjohn Company LLC (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006100568-A1 | PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |