Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | HTR2A | P28223 | 4/20 | 0.60 |
| ▸ | HTR2C | P28335 | 2/20 | 0.60 |
| ▸ | DRD2 | P14416 | 3/20 | 0.59 |
| ▸ | HTR1A | P08908 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | DGKA | P23743 | 1/20 | 0.54 |
| ▸ | DGKG | P49619 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7322255 | 0.91 | ACHE (0.64) | ACHEHTR2AHTR2CDRD2HTR1A | |
| SCHEMBL1545611 | 0.81 | ACHE (0.93) | ACHEHTR2AHTR2CDRD2HTR1A | |
| SCHEMBL1545272 | 0.80 | ACHE (0.63) | ACHEHTR2AHTR2CDRD2HTR1A | |
| SCHEMBL10896910 | 0.78 | DRD2 (0.61) | ACHEHTR2ADRD2SLC6A4 | |
| SCHEMBL10896514 | 0.78 | DRD2 (0.62) | ACHEDRD2SLC6A4 | |
| SCHEMBL1544931 | 0.78 | ACHE (0.71) | ACHEHTR2AHTR2CDRD2HTR1A | |
| SCHEMBL8871775 | 0.77 | ACHE (0.77) | ACHEHTR2AHTR2CDRD2HTR1A | |
| Hydrochloric Acid SCHEMBL1545126 | 0.77 | ACHE (0.70) | ACHEHTR2AHTR2CDRD2HTR1A | |
| SCHEMBL1544908 | 0.77 | ACHE (0.84) | ACHEHTR2AHTR2CDRD2HTR1A | |
| Hydrochloric Acid SCHEMBL1545406 | 0.76 | ACHE (0.76) | ACHEHTR2AHTR2CDRD2HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0196132-B1 | 1,2-BENZISOXAZOL-3-YL AND 1,2-BENZISOTHIAZOL-3-YL DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-08-12 | — | — | EP | disclosed |
| US-4804663-A | PSYCHOLOGICAL DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-02-14 | — | — | US | disclosed |
| EP-0196132-A2 | 1,2-Benzisoxazol-3-yl and 1,2-benzisothiazol-3-yl derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-10-01 | — | — | EP | disclosed |