Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27889168 | 0.84 | AKR1B1 (0.50) | AKR1B1TDP1PTGS2CXCL8DUSP3 | |
| SCHEMBL14426364 | 0.84 | TDP1 (0.53) | AKR1B1TDP1PTGS2CXCL8DUSP3 | |
| SCHEMBL16050494 | 0.83 | ALDH1A1 (0.51) | MMP2KDM4EMAPT | |
| SCHEMBL22306130 | 0.82 | GABRA1 (0.55) | GABRA1GABRB2KAT6AMAPT | |
| SCHEMBL868679 | 0.82 | PTGS2 (0.54) | AKR1B1TDP1PTGS2CXCL8DUSP3 | |
| SCHEMBL5737531 | 0.82 | AKR1B1 (0.48) | AKR1B1TDP1PTGS2CXCL8DUSP3 | |
| SCHEMBL723768 | 0.82 | CXCL8 (0.56) | AKR1B1TDP1PTGS2CXCL8DUSP3 | |
| SCHEMBL3232628 | 0.80 | AKR1B1 (0.67) | AKR1B1TDP1PTGS2CXCL8DUSP3 | |
| SCHEMBL28134586 | 0.80 | CXCL8 (0.54) | AKR1B1TDP1PTGS2CXCL8DUSP3 | |
| SCHEMBL23375468 | 0.79 | BCAT2 (0.47) | AKR1B1TDP1PTGS2CXCL8DUSP3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4426536-A | Synthesis of phenylacetic acid esters | ELI LILLY AND COMPANY (US) | 1984-01-17 | — | — | US | disclosed |
| EP-0098058-A1 | Synthesis of phenylacetic acid esters | ELI LILLY AND COMPANY (US) | 1984-01-11 | — | — | EP | disclosed |