Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.33 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.32 |
| ▸ | TUBB | P07437 | 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 | |
|---|---|---|---|---|
| SCHEMBL17864151 | 0.93 | ALDH1A1 (0.36) | ALDH1A1HPGDCYP1A2KDM4EMAPT | |
| SCHEMBL17864172 | 0.91 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP1A2KDM4EMAPT | |
| SCHEMBL24104188 | 0.89 | ALDH1A1 (0.37) | ALDH1A1HPGDKDM4EMAPTDUSP3 | |
| SCHEMBL17864145 | 0.88 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EMAPTHSD17B10 | |
| SCHEMBL17864157 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4EMAPTHSD17B10 | |
| SCHEMBL17864097 | 0.86 | TDP1 (0.35) | ALDH1A1HPGDCYP1A2KDM4EMAPT | |
| SCHEMBL19359934 | 0.85 | KDM4E (0.41) | ALDH1A1HPGDKDM4EMAPTDUSP3 | |
| SCHEMBL21707370 | 0.84 | KDM4E (0.39) | ALDH1A1HPGDKDM4EMAPTDUSP3 | |
| SCHEMBL17864162 | 0.84 | ALDH1A1 (0.40) | ALDH1A1HPGDCYP1A2KDM4EMAPT | |
| SCHEMBL17299402 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016099037-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2016-06-23 | — | — | WO | disclosed |