Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PON1 | P27169 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11223586 | 0.85 | PON1 (0.46) | PON1HTR1DADRA2AADRA2BADRA2C | |
| SCHEMBL30617195 | 0.81 | DAO (0.46) | RXRARXRBPOLBMAPT | |
| SCHEMBL5111503 | 0.81 | DAO (0.46) | RXRARXRBPOLBMAPT | |
| SCHEMBL6644304 | 0.79 | PON1 (0.45) | PON1HTR1DADRA2AADRA2BADRA2C | |
| SCHEMBL11344556 | 0.79 | ALDH1A1 (0.57) | PON1CYP2C19CYP1A2TSHRALDH1A1 | |
| SCHEMBL7979494 | 0.78 | KLF10 (0.47) | HTR1DADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL12049340 | 0.78 | HTR1D (0.46) | HTR1DADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL11280631 | 0.77 | HTR1D (0.40) | PON1HTR1DADRA2AADRA2BADRA2C | |
| SCHEMBL26802829 | 0.77 | HTR1D (0.45) | HTR1DADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL23402375 | 0.75 | HTR1D (0.44) | HTR1DADRA2AADRA2BADRA2CADRA1D |
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 |