Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 16/20 | 0.60 |
| ▸ | HTR1D | P28221 | 15/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8863858 | 0.97 | HTR1A (0.61) | HTR1AHTR1DHPGD | |
| SCHEMBL8864699 | 0.82 | HTR1A (0.47) | HTR1AHTR1DHPGDADRA2AADRA2B | |
| SCHEMBL8864693 | 0.82 | HTR1A (0.47) | HTR1AHTR1DHPGDADRA2AADRA2B | |
| SCHEMBL8863957 | 0.81 | HTR1A (0.46) | HTR1AHTR1DADRA2AADRA2BADRA2C | |
| SCHEMBL8044366 | 0.80 | HTR1A (0.46) | HTR1AHTR1DADRA2AADRA2BADRA2C | |
| SCHEMBL5723845 | 0.79 | HTR1A (0.43) | HTR1AHTR1DADRA2AADRA2BADRA2C | |
| SCHEMBL8878969 | 0.77 | HTR1A (0.44) | HTR1AHTR1DADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL7204282 | 0.76 | HTR1A (0.40) | HTR1AHTR1D | |
| SCHEMBL8052466 | 0.75 | HTR1A (0.46) | HTR1AHTR1DADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL8864158 | 0.74 | HTR1A (0.95) | HTR1AHTR1D |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
| WO-1993017017-A1 | [(BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-02 | — | — | WO | disclosed |