Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 9/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 9/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 9/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9206070 | 1.00 | ADRA1D (0.52) | ADRA1DADRA1AADRA1BCA1CA2 | |
| SCHEMBL9210885 | 1.00 | ADRA1D (0.52) | ADRA1DADRA1AADRA1BCA1CA2 | |
| SCHEMBL9203733 | 0.94 | ADRA1D (0.52) | ADRA1DADRA1AADRA1BCA1CA2 | |
| SCHEMBL9207882 | 0.89 | CA1 (0.59) | ADRA1DADRA1AADRA1BCA1CA2 | |
| SCHEMBL9214181 | 0.89 | CA1 (0.59) | ADRA1DADRA1AADRA1BCA1CA2 | |
| SCHEMBL9204524 | 0.89 | ADRA1D (0.62) | ADRA1DADRA1AADRA1BHTR1AALDH1A1 | |
| SCHEMBL9204081 | 0.87 | ADRA1D (0.50) | ADRA1DADRA1AADRA1BCA1CA2 | |
| SCHEMBL9210884 | 0.87 | DRD2 (0.53) | — | |
| SCHEMBL9207871 | 0.87 | ADRA1D (0.49) | ADRA1DADRA1AADRA1BCA1CA2 | |
| SCHEMBL9205645 | 0.87 | DRD2 (0.53) | — |
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-0520674-B1 | Antipsychotic benzodioxan derivatives | AMERICAN HOME PROD (US) | 1995-08-16 | — | — | EP | claimed |
| EP-0295316-B1 | Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones | AMERICAN CYANAMID CO (US) | 1995-11-08 | — | — | EP | disclosed |
| EP-0520674-B1 | Antipsychotic benzodioxan derivatives | AMERICAN HOME PROD (US) | 1995-08-16 | — | — | EP | disclosed |
| EP-0520674-A1 | Antipsychotic benzodioxan derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-12-30 | — | — | EP | disclosed |