Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | FABP3 | P05413 | 1/20 | 0.30 |
| ▸ | FABP4 | P15090 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29083582 | 0.77 | ADRA2A (0.38) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL7979673 | 0.76 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL21667041 | 0.76 | HTR1D (0.43) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL4877230 | 0.76 | GABRA1 (0.45) | GABRA1GABRB2FABP3FABP4 | |
| SCHEMBL10823077 | 0.76 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL7983095 | 0.75 | HTR1D (0.40) | HTR1DHTR1B | |
| SCHEMBL531025 | 0.74 | RAPGEF4 (0.46) | HTR1DHTR1BLMNA | |
| SCHEMBL893283 | 0.74 | ALDH1A1 (0.41) | HTR1D | |
| SCHEMBL12013420 | 0.73 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL12013417 | 0.73 | HTR1D (0.41) | ADRA2AADRA2BADRA2CADRA1DHTR1D |
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-6288101-B1 | ADMINISTERING COMPOUNDS SUCH AS 2,6-DIMETHYL-4-ISOPROPYLBENZALDEHYDE TO TREAT INDICATIONS WHERE STIMULATION OF SUBTYPES OF THE SEROTONIN RECEPTOR IS IMPLICATED, SUCH AS MIGRAINES | VIRGINIA COMMONWEALTH UNIVERSITY | 2001-09-11 | — | — | US | disclosed |
| US-6124338-A | TREATING MIGRAINE HEADACHE | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-09-26 | — | — | US | disclosed |
| US-6048862-A | Benzylamidine derivatives with serotonin receptor binding activity | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-04-11 | — | — | US | disclosed |
| US-5969137-A | TREATMENT OF NERVOUS SYSTEM DISORDERS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |
| WO-1998012183-A1 | IMIDAZOLES WITH SEROTONIN RECEPTOR BINDING ACTIVITY | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1998-03-26 | — | — | WO | disclosed |