Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.65 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | HTR1B | P28222 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CFB | P00751 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7987172 | 0.98 | TAAR1 (0.63) | TAAR1HTR1AHTR1DHTR1BALOX15 | |
| SCHEMBL955414 | 0.86 | TAAR1 (0.69) | TAAR1HTR1AHTR1DHTR1BALOX15 | |
| Hydrochloric Acid SCHEMBL7981121 | 0.84 | TAAR1 (0.67) | TAAR1HTR1AHTR1DHTR1BALOX15 | |
| SCHEMBL7981257 | 0.83 | TAAR1 (0.61) | TAAR1HTR1AHTR1DHTR1BALOX15 | |
| SCHEMBL954743 | 0.83 | TAAR1 (0.65) | TAAR1HTR1AALOX15ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL7983007 | 0.82 | TAAR1 (0.59) | TAAR1HTR1AHTR1DHTR1BALOX15 | |
| SCHEMBL7983164 | 0.81 | TAAR1 (0.63) | TAAR1HTR1AHTR1DHTR1BALOX15 | |
| SCHEMBL954257 | 0.80 | TAAR1 (0.61) | TAAR1HTR1AALOX15ADRA2AADRA2B | |
| SCHEMBL953782 | 0.79 | TAAR1 (1.00) | TAAR1HTR1AHTR1DALOX15ADRA2A | |
| SCHEMBL952640 | 0.79 | TAAR1 (0.64) | TAAR1HTR1AALOX15ADRA2AADRA2B |
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 |