Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | CDC42 | P60953 | 1/20 | 0.39 |
| ▸ | RAC1 | P63000 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3660817 | 0.88 | KEAP1 (0.49) | KEAP1NFE2L2TSHR | |
| SCHEMBL7191809 | 0.87 | ALDH1A1 (0.41) | ALDH1A1KDM4EKEAP1NFE2L2 | |
| SCHEMBL11052501 | 0.86 | NQO2 (0.39) | HSD17B10 | |
| SCHEMBL11052784 | 0.85 | MT-CO2 (0.39) | CYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL8712805 | 0.84 | KDM4E (0.40) | AKR1C3AKR1C2PTGS1CYP1A2ALDH1A1 | |
| SCHEMBL10978236 | 0.80 | CLK1 (0.44) | AKR1C3AKR1C2PTGS1CA2 | |
| SCHEMBL28705822 | 0.79 | KDM4E (0.43) | AKR1C3AKR1C2PTGS1CYP1A2ALDH1A1 | |
| SCHEMBL11649618 | 0.78 | PTPN1 (0.42) | HPGDCYP2C19 | |
| SCHEMBL8313937 | 0.77 | SMN1; SMN2 (0.40) | ALDH1A1 | |
| SCHEMBL6715518 | 0.77 | PTGIR (0.37) | — |
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-4490370-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| EP-0122155-A2 | Improvements in or relating to naphthylglycyl cephalosporin derivatives | ELI LILLY AND COMPANY (US) | 1984-10-17 | — | — | EP | disclosed |