Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.43 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2201889 | 0.89 | GAA (0.45) | GAABRD4TRPA1ALDH1A1KDM4E | |
| SCHEMBL2901815 | 0.84 | PLK1 (0.46) | GAAGUCY1A1GUCY1B1TRPA1KCNMA1 | |
| SCHEMBL10126544 | 0.84 | GUCY1A1 (0.59) | GAABRD4GUCY1A1GUCY1B1ALDH1A1 | |
| SCHEMBL28091170 | 0.81 | IDO1 (0.51) | GAATRPA1ALDH1A1KCNMA1TP53 | |
| SCHEMBL6248663 | 0.77 | HDAC6 (0.63) | CYP19A1GAAALDH1A1KDM4EHPGD | |
| SCHEMBL30516497 | 0.77 | HDAC6 (0.63) | CYP19A1GAAALDH1A1KDM4EHPGD | |
| SCHEMBL1259060 | 0.77 | CYP3A4 (0.50) | GAATRPA1ALDH1A1HPGDKCNMA1 | |
| SCHEMBL10651261 | 0.77 | ALDH1A1 (0.53) | CYP19A1GAABRD4ALDH1A1KDM4E | |
| SCHEMBL30086871 | 0.77 | CYP3A4 (0.50) | GAATRPA1ALDH1A1HPGDKCNMA1 | |
| Hydrochloric Acid SCHEMBL4862759 | 0.76 | HDAC6 (0.61) | CYP19A1GAAALDH1A1KDM4EHPGD |
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-0943614-A2 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | Wella Aktiengesellschaft (DE) | 1999-09-22 | — | — | EP | disclosed |