Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | MPI | P34949 | 1/20 | 0.56 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.56 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HTR7 | P34969 | 10/20 | 0.55 |
| ▸ | HEXA | P06865 | 2/20 | 0.54 |
| ▸ | HEXB | P07686 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 9/20 | 0.53 |
| ▸ | DRD2 | P14416 | 9/20 | 0.53 |
| ▸ | HTR2A | P28223 | 9/20 | 0.53 |
| ▸ | HTR6 | P50406 | 9/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9290372 | 0.96 | ALDH1A1 (0.57) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL11009841 | 0.90 | HPGD (0.60) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9720971 | 0.85 | HPGD (0.70) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9720894 | 0.83 | KDM4E (0.49) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL24991893 | 0.81 | HPGD (0.60) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9720875 | 0.80 | ALDH1A1 (0.68) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9290297 | 0.80 | ALDH1A1 (0.46) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9290382 | 0.80 | HEXA (0.64) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL7131251 | 0.80 | ALDH1A1 (0.71) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL9290371 | 0.79 | ALDH1A1 (0.61) | ALDH1A1HPGDCASP1MPICACNA1B |
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 |