Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 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 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD4 | P21917 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | DRD5 | P21918 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9033661 | 0.88 | HTR1A (0.40) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8880016 | 0.84 | CA2 (0.50) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8044366 | 0.78 | HTR1A (0.46) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8052466 | 0.77 | HTR1A (0.46) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8863957 | 0.77 | HTR1A (0.46) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8878969 | 0.75 | HTR1A (0.44) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8863858 | 0.73 | HTR1A (0.61) | HTR1A | |
| SCHEMBL4934556 | 0.73 | CA2 (0.45) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL5723845 | 0.73 | HTR1A (0.43) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL5722960 | 0.73 | HTR1A (0.40) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |