Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25A | P30304 | 7/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 5/20 | 0.43 |
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720888 | 0.88 | ALDH1A1 (0.47) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL22362229 | 0.83 | TDP1 (0.46) | ALDH1A1HPGDSMN1; SMN2MEN1MAPT | |
| SCHEMBL9720875 | 0.82 | ALDH1A1 (0.68) | CDC25ACES1ALDH1A1HPGDCASP1 | |
| SCHEMBL11374786 | 0.82 | ALDH1A1 (0.44) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL11369587 | 0.81 | POLB (0.59) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9720894 | 0.80 | KDM4E (0.49) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9720871 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9720920 | 0.78 | POLB (0.47) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL11373888 | 0.78 | HEXA (0.57) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9720886 | 0.76 | HTR7 (0.48) | HTR7HTR1ADRD2HTR2AHTR6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5079247-A | N1 -substituted benz(cd)indol-2-imine compounds as cardiovascular agents | AMERICAN CYANAMID COMPANY (US) | 1992-01-07 | — | — | US | disclosed |