Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11834013 | 0.88 | ACHE (0.53) | MEN1KMT2A | |
| SCHEMBL4297567 | 0.87 | MTOR (0.49) | HPGDMEN1KMT2AMAPTSIGMAR1 | |
| SCHEMBL4297563 | 0.87 | MTOR (0.49) | HPGDMEN1KMT2AMAPTSIGMAR1 | |
| SCHEMBL16450888 | 0.86 | ALPI (0.47) | HPGDMEN1KMT2AALPIPKM | |
| SCHEMBL9328928 | 0.86 | KMT2A (0.49) | HPGDMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL8202673 | 0.85 | CYP1A2 (0.53) | HPGDALPIPKMPTGS1XIAP | |
| SCHEMBL2319694 | 0.85 | CYP1A2 (0.53) | HPGDALPIPKMPTGS1XIAP | |
| SCHEMBL11823514 | 0.84 | ADRA2B (0.56) | HPGDMEN1KMT2AALPIPKM | |
| Hydrochloric Acid SCHEMBL6336814 | 0.84 | CYP1A2 (0.52) | HPGDALPIPKMPTGS1XIAP | |
| SCHEMBL9331288 | 0.83 | MEN1 (0.46) | HPGDMEN1KMT2AALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0387605-B1 | Process for the stereoselective preparation of optically active S,S or R,R-beta-aminoalcohols | BAYER AG (DE) | 1994-03-30 | — | — | EP | disclosed |