Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9814119 | 0.81 | ADRA2A (0.45) | ALDH1A1LMNACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10864023 | 0.69 | ALDH1A1 (0.31) | ALDH1A1LMNACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6981317 | 0.67 | HTR1A (0.50) | ALDH1A1LMNACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7547848 | 0.66 | CHRNB2 (0.44) | ALDH1A1DRD2CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL17069064 | 0.66 | ABCG2 (0.44) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL9348922 | 0.66 | HSP90AA1 (0.39) | ALDH1A1LMNAMEN1KMT2ADRD2 | |
| SCHEMBL3263345 | 0.65 | GID4 (0.40) | ALDH1A1 | |
| SCHEMBL1721503 | 0.65 | TRPM5 (0.42) | ALDH1A1CYP2D6MEN1KMT2AADRA2A | |
| SCHEMBL584863 | 0.64 | ALDH1A1 (0.41) | ALDH1A1LMNACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13748093 | 0.63 | HTR2A (0.38) | ALDH1A1LMNACYP3A4CYP2D6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0428437-B1 | 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1994-08-17 | — | — | EP | disclosed |
| US-5134147-A | Antipsychotic agents | ADIR ET COMPAGNIE (FR) | 1992-07-28 | — | — | US | disclosed |
| US-5100902-A | Dopamine and Serotonin Antagonists, Antipsychotic Agents | ADIR ET COMPAGNIE (FR) | 1992-03-31 | — | — | US | disclosed |
| EP-0428437-A1 | 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1991-05-22 | — | — | EP | disclosed |