Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.68 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL299227 | 1.00 | AKR1B1 (0.68) | AKR1B1HSPA5GAANPSR1TAAR1 | |
| Methane SCHEMBL22289679 | 0.98 | AKR1B1 (0.65) | AKR1B1HSPA5GAANPSR1TAAR1 | |
| Butane SCHEMBL9614624 | 0.92 | AKR1B1 (0.59) | AKR1B1HSPA5GAANPSR1TAAR1 | |
| Benzoic Acid SCHEMBL4776756 | 0.89 | AKR1B1 (0.60) | AKR1B1HSPA5GAANPSR1TAAR1 | |
| SCHEMBL10339218 | 0.85 | AKR1B1 (0.46) | AKR1B1GAANPSR1TSHRCYP2D6 | |
| Benzene SCHEMBL15265833 | 0.83 | AKR1B1 (0.50) | AKR1B1GAANPSR1TSHRCYP2D6 | |
| SCHEMBL11029713 | 0.83 | GAA (0.53) | AKR1B1GAANPSR1TAAR1ALDH1A1 | |
| SCHEMBL10916470 | 0.82 | AKR1B1 (0.68) | AKR1B1HSPA5TAAR1IDO1TSHR | |
| SCHEMBL4810865 | 0.82 | AKR1B1 (0.51) | AKR1B1GAANPSR1TAAR1CA2 | |
| SCHEMBL72309 | 0.81 | AKR1B1 (1.00) | AKR1B1HSPA5GAATAAR1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1120402-B1 | Chiral copper complex and production processes thereof and using the same | SUMITOMO CHEMICAL CO (JP) | 2008-06-25 | — | — | EP | disclosed |