Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8640404 | 0.88 | CYP1A2 (0.40) | CYP1A2CYP2C19ALDH1A1TSHRPDE4A | |
| SCHEMBL8639899 | 0.78 | ALDH1A1 (0.31) | ALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL8642760 | 0.77 | NPC1 (0.30) | HTTMAPTRAB9A | |
| SCHEMBL8644186 | 0.75 | SRC (0.30) | MEN1KMT2AMAPTRAB9A | |
| SCHEMBL8530611 | 0.71 | ALDH1A1 (0.46) | CYP1A2CYP2C19ALDH1A1TSHRPDE4A | |
| SCHEMBL8645357 | 0.69 | CYP1B1 (0.32) | — | |
| SCHEMBL3177974 | 0.68 | GRM4 (0.43) | CYP1A2CYP2C19ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL5163392 | 0.67 | CA1 (0.48) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Chloromethane SCHEMBL7154463 | 0.67 | KCNQ3 (0.51) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL8335450 | 0.65 | GAA (0.63) | CYP1A2CYP2C19ALDH1A1TSHRMEN1 |
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-0602550-A1 | Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-06-22 | — | — | EP | claimed |
| US-5498713-A | FIBER-REACTIVE DYES | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-03-12 | — | — | US | disclosed |
| EP-0602550-A1 | Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-06-22 | — | — | EP | disclosed |