Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 7/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8316103 | 1.00 | ALDH1A1 (0.41) | ALDH1A1ACACBACACATRPV1TRPA1 | |
| SCHEMBL7889364 | 0.98 | ALDH1A1 (0.43) | ALDH1A1ACACBACACATRPV1TRPA1 | |
| SCHEMBL8414663 | 0.93 | ALDH1A1 (0.47) | ALDH1A1ACACBACACAKCNH3MAPK1 | |
| SCHEMBL5801785 | 0.93 | ALDH1A1 (0.47) | ALDH1A1ACACBACACAKCNH3MAPK1 | |
| SCHEMBL9717472 | 0.83 | ACACB (0.42) | ALDH1A1ACACBACACATRPV1TRPA1 | |
| SCHEMBL10925030 | 0.83 | ACACB (0.42) | ALDH1A1ACACBACACATRPV1TRPA1 | |
| SCHEMBL7701357 | 0.83 | MEN1 (0.44) | ALDH1A1ACACBACACATRPV1TRPA1 | |
| SCHEMBL27574599 | 0.83 | ACACB (0.42) | ALDH1A1ACACBACACATRPV1TRPA1 | |
| SCHEMBL10264067 | 0.83 | ACACB (0.57) | ALDH1A1ACACBACACATRPV1TRPA1 | |
| SCHEMBL27277421 | 0.83 | ACACB (0.42) | ALDH1A1ACACBACACATRPV1TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0450504-A1 | Preparative chromatographic separation for the production of enantiomerically pure hetrazepines | BOEHRINGER INGELHEIM KG (DE) | 1991-10-09 | — | — | EP | claimed |
| EP-0450504-A1 | Preparative chromatographic separation for the production of enantiomerically pure hetrazepines | BOEHRINGER INGELHEIM KG (DE) | 1991-10-09 | — | — | EP | disclosed |