Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 4/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.52 |
| ▸ | HTR1B | P28222 | 3/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.50 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11291001 | 0.83 | TAAR1 (0.54) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| SCHEMBL8712604 | 0.81 | TAAR1 (0.61) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| SCHEMBL7983164 | 0.80 | TAAR1 (0.63) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| Hydrochloric Acid SCHEMBL7979721 | 0.80 | TAAR1 (0.59) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| SCHEMBL7176858 | 0.77 | TAAR1 (0.48) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| SCHEMBL1509682 | 0.76 | TAAR1 (0.67) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| SCHEMBL954941 | 0.73 | TAAR1 (0.54) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| Oxalic Acid SCHEMBL7979852 | 0.72 | TAAR1 (0.54) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| SCHEMBL11042945 | 0.72 | TAAR1 (0.49) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| SCHEMBL7981270 | 0.72 | HTR1D (0.47) | HTR1DADRA2AADRA2BADRA2CHTR1B |
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 6 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 | claimed |
| US-6124338-A | TREATING MIGRAINE HEADACHE | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-09-26 | — | — | US | claimed |
| WO-1998012183-A1 | IMIDAZOLES WITH SEROTONIN RECEPTOR BINDING ACTIVITY | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1998-03-26 | — | — | WO | claimed |
| 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 |