Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13070400 | 0.81 | ALDH1A1 (0.38) | KDM4EALDH1A1THRBHPGDKMT2A | |
| SCHEMBL12180619 | 0.79 | CHRM2 (0.38) | KDM4EALDH1A1THRBHPGDKMT2A | |
| SCHEMBL11150921 | 0.76 | CA2 (0.37) | KDM4EALDH1A1THRBHPGDKMT2A | |
| SCHEMBL2584448 | 0.76 | KDM4E (0.35) | KDM4EALDH1A1THRBHPGDKMT2A | |
| SCHEMBL407027 | 0.74 | CHRM2 (0.40) | KDM4EALDH1A1THRBHPGDKMT2A | |
| SCHEMBL5272376 | 0.73 | CHRM2 (0.41) | KDM4EALDH1A1THRBHPGDKMT2A | |
| SCHEMBL26934761 | 0.70 | CHRM2 (0.42) | KDM4EALDH1A1THRBHPGDKMT2A | |
| SCHEMBL9769951 | 0.69 | CHRM2 (0.40) | KDM4EALDH1A1THRBHPGDKMT2A | |
| SCHEMBL25989145 | 0.67 | ALOX5 (0.49) | KMT2ACA2 | |
| SCHEMBL7485945 | 0.66 | ALDH1A1 (0.41) | KDM4EALDH1A1THRBHPGDKMT2A |
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-0038439-B1 | DYESTUFF MIXTURES, METHOD FOR THEIR PREPARATION, THE COMPONENT DYESTUFFS AND THEIR USE IN DYEING AND PRINTING SYNTHETIC, HYDROPHOBIC FIBRE MATERIAL | CASSELLA Aktiengesellschaft (DE) | 1983-05-04 | — | — | EP | disclosed |