Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CDC25A | P30304 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 4/20 | 0.37 |
| ▸ | CASP7 | P55210 | 4/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4503347 | 0.84 | MAOB (0.56) | CES1CDC25ABCHEACHEMAOB | |
| SCHEMBL6284754 | 0.83 | MAOB (0.45) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL9050379 | 0.83 | MAOB (0.55) | ALDH1A1ALDH2ALDH3A1BCHEACHE | |
| SCHEMBL6280419 | 0.74 | CES1 (0.42) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL9097982 | 0.69 | DRD2 (0.55) | ALDH1A1ALDH2ALDH3A1CASP3CASP7 | |
| SCHEMBL27452434 | 0.69 | ALDH1A1 (0.51) | ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL9096146 | 0.69 | DRD2 (0.55) | ALDH1A1ALDH2ALDH3A1CASP3CASP7 | |
| Hydrochloric Acid SCHEMBL9096413 | 0.68 | DRD2 (0.54) | ALDH1A1ALDH2ALDH3A1CASP3CASP7 | |
| SCHEMBL4500323 | 0.68 | MAOB (0.51) | BCHEACHEMAOB | |
| SCHEMBL9095916 | 0.68 | DRD2 (0.56) | ALDH1A1ALDH2ALDH3A1CASP3CASP7 |
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-6906090-B1 | Compositions and methods for treating mycobacterial diseases | ASTRAZENECA AB (SE) | 2005-06-14 | — | — | US | disclosed |