Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.30 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13242368 | 0.80 | L3MBTL1 (0.33) | ALDH1A1TSHRMAPTHTT | |
| SCHEMBL10026852 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL944604 | 0.75 | SCN4A (0.32) | TSHRCYP3A4TP53 | |
| SCHEMBL11567106 | 0.74 | TAAR1 (0.46) | TSHRCYP3A4HSD17B10MAPK1MEN1 | |
| SCHEMBL900267 | 0.72 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL10212138 | 0.72 | TRPV1 (0.33) | MEN1MAPTKMT2A | |
| SCHEMBL29074259 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL10416165 | 0.70 | TSHR (0.44) | ALDH1A1TSHRCYP3A4TP53IDO1 | |
| SCHEMBL11564839 | 0.70 | ALDH1A1 (0.33) | ALDH1A1TSHRCYP3A4HSD17B10RECQL | |
| SCHEMBL27349376 | 0.70 | CYP3A4 (0.52) | ALDH1A1TSHRCYP3A4HSD17B10RECQL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0098058-B1 | SYNTHESIS OF PHENYLACETIC ACID ESTERS | ELI LILLY AND COMPANY (US) | 1986-02-19 | — | — | EP | disclosed |
| 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 |