Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 9/20 | 1.00 |
| ▸ | ADRA2A | P08913 | 3/20 | 1.00 |
| ▸ | ADRA2B | P18089 | 3/20 | 1.00 |
| ▸ | ADRA2C | P18825 | 3/20 | 1.00 |
| ▸ | HTR1B | P28222 | 7/20 | 0.60 |
| ▸ | HTR1A | P08908 | 2/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
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 SCHEMBL7986568 | 0.98 | HTR1D (0.97) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| SCHEMBL7980791 | 0.76 | HTR1D (1.00) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| Hydrochloric Acid SCHEMBL7986535 | 0.74 | HTR1D (0.98) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| Xylometazoline SCHEMBL34087 | 0.70 | HTR1D (1.00) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| Xylometazoline SCHEMBL3299510 | 0.69 | HTR1D (0.97) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| Xylometazoline SCHEMBL871223 | 0.69 | HTR1D (0.97) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| Xylometazoline SCHEMBL3300993 | 0.69 | HTR1D (0.97) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| Xylometazoline SCHEMBL41837 | 0.69 | HTR1A (1.00) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| Xylometazoline SCHEMBL3297417 | 0.69 | HTR1D (0.97) | HTR1DADRA2AADRA2BADRA2CHTR1B | |
| SCHEMBL8149986 | 0.68 | HTR1D (1.00) | 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-6048862-A | Benzylamidine derivatives with serotonin receptor binding activity | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-04-11 | — | — | US | 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 |
| 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 |