Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 19/20 | 0.81 |
| ▸ | ADRA1A | P35348 | 19/20 | 0.81 |
| ▸ | ADRA1B | P35368 | 19/20 | 0.81 |
| ▸ | HTR1A | P08908 | 5/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.81 |
| ▸ | MEN1 | O00255 | 2/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.81 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.81 |
| ▸ | TSHR | P16473 | 1/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.81 |
| ▸ | THPO | P40225 | 1/20 | 0.81 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.81 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.81 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.80 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.80 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15755824 | 0.99 | ADRA1D (0.82) | ADRA1DADRA1AADRA1BHTR1AALDH1A1 | |
| SCHEMBL29387392 | 0.90 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR1AALDH1A1 | |
| SCHEMBL800982 | 0.90 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL989002 | 0.89 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR1AALDH1A1 | |
| SCHEMBL9788804 | 0.79 | ADRA1D (0.57) | ADRA1DADRA1AADRA1BHTR1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL15755823 | 0.78 | ADRA1D (0.58) | ADRA1DADRA1AADRA1BHTR1AALDH1A1 | |
| SCHEMBL9413175 | 0.76 | POLB (0.74) | ADRA1DADRA1AADRA1BALDH1A1MEN1 | |
| SCHEMBL9692532 | 0.74 | HTT (0.58) | ALDH1A1MEN1CYP3A4KMT2ACYP1A2 | |
| SCHEMBL14584985 | 0.72 | HTT (0.56) | ADRA1DADRA1AADRA1BHTR1AALDH1A1 | |
| SCHEMBL9413231 | 0.72 | CA2 (0.62) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5030639-A | N-substituted-5,6-dimethoxy-1,2-benzisoxazole-3-propanamine and related compounds as analgesic and hypotensive agents | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-07-09 | — | — | US | disclosed |
| US-5008264-A | N-substituted-5,6-dimethoxy-1,2-benzisoxazole-3-propanamine and related compounds as analgesic and hypotensive agents | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-04-16 | — | — | US | disclosed |
| US-4980365-A | N-substituted-5,6-dimethoxy-1,2-benzisoxazole-3-propanamine and related compounds as analgesic and hypotensive agents | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-12-25 | — | — | US | disclosed |
| EP-0299349-A2 | N-substituted-5,6-dimethoxy-1,2-benzisoxazole-3-propanamine and related compounds, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-01-18 | — | — | EP | disclosed |