Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | HTR1D | P28221 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8863957 | 0.96 | HTR1A (0.46) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL5723845 | 0.91 | HTR1A (0.43) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL27350286 | 0.89 | HTR1A (0.46) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8045703 | 0.88 | ALDH1A1 (0.41) | — | |
| SCHEMBL8878969 | 0.85 | HTR1A (0.44) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8052466 | 0.82 | HTR1A (0.46) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8863858 | 0.81 | HTR1A (0.61) | HTR1AHTR1D | |
| SCHEMBL8050257 | 0.80 | ALDH1A1 (0.42) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8864552 | 0.80 | HTR1A (0.60) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8879064 | 0.78 | HTR1A (0.46) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6100268-A | MIGRAINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2000-08-08 | — | — | US | disclosed |
| US-5824682-A | Vasoconstrictive dihydrobenzopyran derivatives | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-10-20 | — | — | US | 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-0714396-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005383-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-02-23 | — | — | WO | disclosed |