Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.60 |
| ▸ | HTR1D | P28221 | 4/20 | 0.60 |
| ▸ | MLNR | O43193 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | NPY1R | P25929 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8864373 | 0.82 | HTR1A (0.66) | HTR1AHTR1D | |
| SCHEMBL8052654 | 0.82 | HTR1A (0.66) | HTR1AHTR1D | |
| SCHEMBL8864249 | 0.80 | HTR1A (0.73) | HTR1AHTR1DMLNRADRB2ADRB1 | |
| SCHEMBL8864237 | 0.80 | HTR1A (0.73) | HTR1AHTR1DMLNRADRB2ADRB1 | |
| SCHEMBL12846782 | 0.80 | SLC6A2 (0.49) | HTR1AHTR1DMLNRADRB2ADRB1 | |
| SCHEMBL7393372 | 0.80 | SLC6A2 (0.51) | HTR1AHTR1DMLNRADRB2ADRB1 | |
| SCHEMBL5723599 | 0.80 | HTR1A (0.67) | HTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL8864526 | 0.78 | HTR1A (0.61) | HTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL8864139 | 0.77 | DRD2 (0.62) | HTR1ADRD2DRD3 | |
| Hydrochloric Acid SCHEMBL8864132 | 0.77 | DRD2 (0.62) | HTR1ADRD2DRD3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1038032-C | {(Benzodioxan, benzofuran or benzopyran) alkylamino} alkyl substituted guanidines | JANSSEN PHARMACEUTICA NV (BE) | 1998-04-15 | — | — | CN | disclosed |
| US-5703115-A | VASOCONSTRICTORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1997-12-30 | — | — | US | disclosed |
| US-5688952-A | VASOCONSTRICTOR INTERMEDIATES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1997-11-18 | — | — | US | disclosed |
| US-5624952-A | VASOCONSTRICTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-04-29 | — | — | US | disclosed |
| US-5607949-A | VASOCONTRICTORS, TREATING MIGRAIN | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-03-04 | — | — | US | disclosed |
| US-5541180-A | HEADACHE THERAPY | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-07-30 | — | — | US | disclosed |
| EP-0639192-B1 | (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS | JANSSEN PHARMACEUTICA NV (BE) | 1996-05-15 | — | — | EP | disclosed |
| WO-1993017017-A1 | [(BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-02 | — | — | WO | disclosed |