Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL23004906 | 0.86 | ALDH1A1 (0.58) | ALDH1A1MT-CO2ALOX5L3MBTL1KMT2A | |
| SCHEMBL17138592 | 0.86 | ALDH1A1 (0.58) | ALDH1A1MT-CO2ALOX5L3MBTL1KMT2A | |
| SCHEMBL17138600 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MT-CO2ALOX5L3MBTL1KMT2A | |
| SCHEMBL17138582 | 0.84 | ALDH1A1 (0.55) | ALDH1A1MT-CO2ALOX5L3MBTL1KMT2A | |
| SCHEMBL17138597 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MT-CO2ALOX5L3MBTL1KMT2A | |
| SCHEMBL4524414 | 0.83 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1KMT2AMEN1HSD11B1 | |
| SCHEMBL10262574 | 0.82 | TSHR (0.47) | ALDH1A1HPGDTSHRL3MBTL1KMT2A | |
| SCHEMBL17138591 | 0.81 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1KMT2AMEN1 | |
| SCHEMBL28805632 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HPGDTSHRL3MBTL1KMT2A | |
| SCHEMBL2979728 | 0.76 | SIGMAR1 (0.45) | ALDH1A1 |
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-2005030719-A1 | NOVEL METHOD FOR PREPARING CIS-OCTAHYDRO-ISOINDOLE | LES LABORATOIRES SERVIER (FR) | 2005-04-07 | — | — | WO | disclosed |