Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 5/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7986543 | 0.99 | HTR1D (0.38) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| SCHEMBL7981115 | 0.76 | HTR1D (0.52) | HTR1DADRA2CHTR1BLMNA | |
| Hydrochloric Acid SCHEMBL7982787 | 0.75 | HTR1D (0.51) | HTR1DADRA2CHTR1BHTR1ALMNA | |
| SCHEMBL7979676 | 0.71 | HTR1D (0.47) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| Hydrochloric Acid SCHEMBL7970331 | 0.70 | HTR1D (0.46) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| SCHEMBL10690683 | 0.67 | TSHR (0.43) | KCNH2HTR1ALMNACYP2D6TSHR | |
| SCHEMBL10691328 | 0.61 | POLB (0.41) | POLB | |
| SCHEMBL10705219 | 0.59 | HTR1D (0.49) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| SCHEMBL27902686 | 0.59 | KCNH2 (0.45) | KCNH2LMNAMAPT | |
| SCHEMBL19649188 | 0.57 | CYP19A1 (0.43) | — |
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-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 |
| WO-1998012183-A1 | IMIDAZOLES WITH SEROTONIN RECEPTOR BINDING ACTIVITY | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1998-03-26 | — | — | WO | disclosed |