Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.64 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL891289 | 0.87 | HSPA5 (0.54) | HSPA5KEAP1TSHRCYP2D6HIF1A | |
| SCHEMBL8763318 | 0.87 | ALDH1A1 (0.50) | HSPA5TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL7809667 | 0.82 | HSPA5 (0.94) | HSPA5KEAP1TSHRCYP2D6HIF1A | |
| SCHEMBL5852726 | 0.82 | HSPA5 (0.94) | HSPA5KEAP1TSHRCYP2D6HIF1A | |
| SCHEMBL4003141 | 0.81 | KEAP1 (0.63) | HSPA5KEAP1TSHRCYP2D6HIF1A | |
| SCHEMBL1945874 | 0.80 | ALDH1A1 (0.56) | TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL29809738 | 0.80 | ALDH1A1 (0.56) | TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL49745 | 0.80 | HSPA5 (1.00) | HSPA5KEAP1TSHRCYP2D6HIF1A | |
| SCHEMBL29357407 | 0.80 | HSPA5 (1.00) | HSPA5KEAP1TSHRCYP2D6HIF1A | |
| SCHEMBL29839938 | 0.78 | HSPA5 (0.94) | HSPA5KEAP1TSHRCYP2D6HIF1A |
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-4874763-A | ANTIARRHYTHMIA AGENTS | ROEHM GMBH CHEMISCHE FABRIK (DE) | 1989-10-17 | — | — | US | disclosed |
| EP-0318795-A2 | Pharmaceutically active pteridin derivatives | Röhm GmbH (DE) | 1989-06-07 | — | — | EP | disclosed |