Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.62 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CDC25B | P30305 | 2/20 | 0.50 |
| ▸ | CDC25A | P30304 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11882116 | 0.87 | AKR1C3 (0.55) | AKR1C3NR4A1KDM4ECDC25BCDC25A | |
| SCHEMBL809324 | 0.84 | AKR1C3 (0.72) | AKR1C3NR4A1KDM4ECDC25BCDC25A | |
| SCHEMBL5073237 | 0.84 | ALDH1A1 (0.59) | AKR1C3NR4A1KDM4EHSD17B10ATM | |
| SCHEMBL6057040 | 0.82 | AKR1C3 (0.69) | AKR1C3NR4A1KDM4ECDC25BCDC25A | |
| SCHEMBL6056938 | 0.82 | AKR1C3 (0.69) | AKR1C3NR4A1KDM4ECDC25BCDC25A | |
| SCHEMBL6056989 | 0.82 | AKR1C3 (0.67) | AKR1C3NR4A1KDM4ECDC25BCDC25A | |
| SCHEMBL10770972 | 0.82 | TSHR (0.52) | AKR1C3NR4A1KDM4ECDC25BCDC25A | |
| SCHEMBL5474049 | 0.81 | AKR1C3 (0.52) | AKR1C3NR4A1KDM4ECDC25BCDC25A | |
| SCHEMBL1801912 | 0.79 | AKR1C3 (0.64) | AKR1C3NR4A1KDM4ECDC25BCDC25A | |
| SCHEMBL27573417 | 0.79 | AKR1C3 (0.48) | AKR1C3NR4A1KDM4EALDH1A1SRD5A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0499450-A1 | Synthesis of 1-aminoanthraquinone | HOECHST CELANESE CORPORATION (US) | 1992-08-19 | — | — | EP | disclosed |
| EP-0499451-A1 | Synthesis of 1-amino-anthraquinone | HOECHST CELANESE CORPORATION (US) | 1992-08-19 | — | — | EP | disclosed |
| US-5132437-A | From 2-Substituted Benzyl Compound and Xylene | HOECHST CELANESE CORPORATION (US) | 1992-07-21 | — | — | US | disclosed |
| US-5130448-A | Condensing ortho substituted benzoic acid and xylene, oxidation, ring closure, ammonolysis and decarboxyalation | HOECHST CELANESE CORPORATION (US) | 1992-07-14 | — | — | US | disclosed |