Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | CASP1 | P29466 | 1/20 | 0.68 |
| ▸ | MPI | P34949 | 1/20 | 0.68 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.68 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | CES1 | P23141 | 2/20 | 0.62 |
| ▸ | CDC25A | P30304 | 1/20 | 0.62 |
| ▸ | HTR7 | P34969 | 11/20 | 0.60 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.60 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 10/20 | 0.58 |
| ▸ | DRD2 | P14416 | 10/20 | 0.58 |
| ▸ | HTR2A | P28223 | 10/20 | 0.58 |
| ▸ | HTR6 | P50406 | 10/20 | 0.58 |
| ▸ | HEXA | P06865 | 1/20 | 0.56 |
| ▸ | HEXB | P07686 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7131251 | 0.94 | ALDH1A1 (0.71) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL14560557 | 0.89 | HEXA (0.69) | ALDH1A1HPGDSMN1; SMN2HEXAHEXB | |
| SCHEMBL9625491 | 0.89 | HEXA (0.69) | ALDH1A1HPGDSMN1; SMN2HEXAHEXB | |
| SCHEMBL11455625 | 0.89 | HEXA (0.69) | ALDH1A1HPGDSMN1; SMN2HEXAHEXB | |
| SCHEMBL9627022 | 0.89 | HEXA (0.69) | ALDH1A1HPGDSMN1; SMN2HEXAHEXB | |
| SCHEMBL1657181 | 0.89 | HEXA (0.69) | ALDH1A1HPGDSMN1; SMN2HEXAHEXB | |
| SCHEMBL9625427 | 0.89 | HEXA (0.69) | ALDH1A1HPGDSMN1; SMN2HEXAHEXB | |
| SCHEMBL9625295 | 0.89 | HEXA (0.69) | ALDH1A1HPGDSMN1; SMN2HEXAHEXB | |
| SCHEMBL20893694 | 0.89 | HEXA (0.69) | ALDH1A1HPGDSMN1; SMN2HEXAHEXB | |
| SCHEMBL2363008 | 0.88 | HEXA (0.71) | ALDH1A1HPGDSMN1; SMN2HEXAHEXB |
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 2 patents. 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 |
| US-4283540-A | ETHERIFICATION OF A CATIONIC DYE WITH A POLYHYDRIC ALCOHOL | BAYER AKTIENGESELLSCHAFT (DE) | 1981-08-11 | — | — | US | disclosed |