Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 8/20 | 0.46 |
| ▸ | BAZ2B | Q9UIF8 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 6/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 6/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 6/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12111750 | 0.85 | MAPT (0.53) | ALDH1A1LMNAMAPTMAPK1CDK1 | |
| SCHEMBL6474229 | 0.78 | BAZ2B (0.63) | ALDH1A1LMNAMAPTMAPK1BAZ2B | |
| SCHEMBL30981939 | 0.77 | BAZ2B (0.58) | ALDH1A1LMNAMAPTMAPK1BAZ2B | |
| SCHEMBL11433133 | 0.77 | BAZ2B (0.58) | ALDH1A1LMNAMAPTMAPK1BAZ2B | |
| SCHEMBL409534 | 0.75 | BAZ2B (0.71) | ALDH1A1LMNAMAPTMAPK1BAZ2B | |
| SCHEMBL3309015 | 0.73 | ABHD6 (0.44) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL30999896 | 0.73 | ABHD6 (0.44) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL30710363 | 0.73 | ESR2 (0.47) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL15493946 | 0.73 | F12 (0.46) | ALDH1A1LMNAMAPK1HPGDKDM4E | |
| SCHEMBL532456 | 0.71 | DHODH (0.41) | ALDH1A1LMNAKDM4EHSD17B10 |
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-2006011750-A1 | TETRAHYDRO-BETA-CARBOLINONE DERIVATIVES AND PROCESS FOR PREPARING THE SAME | C & C RESEARCH LABORATORIES (KR) | 2006-02-02 | — | — | WO | disclosed |