Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.66 |
| ▸ | HEXA | P06865 | 1/20 | 0.66 |
| ▸ | HEXB | P07686 | 1/20 | 0.66 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.56 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.52 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2473930 | 0.87 | DHFR (0.58) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL3500167 | 0.85 | DHFR (0.61) | DHFRHEXAHEXBADORA2AKDM4E | |
| Hydrochloric Acid SCHEMBL15487768 | 0.85 | DHFR (0.56) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL1031028 | 0.85 | DHFR (0.56) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL3498787 | 0.80 | HEXA (1.00) | DHFRHEXAHEXBTDP1CYP1A2 | |
| SCHEMBL28594009 | 0.80 | DHFR (0.56) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL29115860 | 0.80 | MAPK1 (0.53) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL5064901 | 0.79 | DHFR (0.50) | DHFRHEXAHEXBADORA2AADORA1 | |
| Biphenyl SCHEMBL183386 | 0.78 | ADORA2A (0.75) | DHFRADORA2AADORA1POLBADORA3 | |
| SCHEMBL3502224 | 0.78 | DHFR (0.78) | DHFRHEXAHEXBTDP1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105348203-B | Inhibit the composition and method of JAK approach | 里格尔药品股份有限公司 | 2018-09-18 | — | — | CN | disclosed |
| EP-1363638-A2 | USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS | Synaptic Pharmaceutical Corporation (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002060392-A2 | USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 2002-08-08 | — | — | WO | disclosed |