Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25786471 | 0.83 | DAO (0.43) | RXRARXRBKIF11MAPTPOLB | |
| SCHEMBL7918774 | 0.81 | CYP1A2 (0.40) | HTR1DCYP1A2CYP2C19RXRARXRB | |
| SCHEMBL29284733 | 0.81 | CYP1A2 (0.40) | HTR1DADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL1822997 | 0.78 | PYCR1 (0.44) | TSHRKDM4EALDH1A1HPGDALOX15 | |
| SCHEMBL10835974 | 0.78 | MAPT (0.37) | HTR1DADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL195863 | 0.75 | CASP1 (0.44) | KDM4EALDH1A1HSD17B10CYP2D6L3MBTL1 | |
| SCHEMBL1773826 | 0.75 | TDO2 (0.40) | CYP2C19RXRARXRBKIF11TSHR | |
| SCHEMBL5651750 | 0.74 | ALDH1A1 (0.46) | TSHRKDM4EALDH1A1ALOX15L3MBTL1 | |
| SCHEMBL1096617 | 0.74 | CYP2A6 (0.49) | CYP1A2CYP2C19KDM4ETDP1L3MBTL1 | |
| SCHEMBL5786 | 0.74 | CSNK2A1 (0.49) | TSHRALDH1A1L3MBTL1LMNAHTT |
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 |