Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.50 |
| ▸ | HEXA | P06865 | 1/20 | 0.50 |
| ▸ | HEXB | P07686 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7162150 | 0.79 | DHFR (0.66) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL5064900 | 0.72 | ADORA1 (0.50) | DHFRCA12CA1CA2CA9 | |
| SCHEMBL2187724 | 0.72 | CA1 (0.48) | CA12CA1CA2CA9CA7 | |
| SCHEMBL2473930 | 0.72 | DHFR (0.58) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL3500167 | 0.71 | DHFR (0.61) | DHFRHEXAHEXBADORA2AKDM4E | |
| SCHEMBL1031028 | 0.71 | DHFR (0.56) | DHFRHEXAHEXBADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL15487768 | 0.71 | DHFR (0.56) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL12495983 | 0.67 | ADORA2A (0.52) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL7256603 | 0.67 | DHFR (0.47) | DHFRHEXAHEXBADORA2AADORA1 | |
| SCHEMBL3498787 | 0.67 | HEXA (1.00) | DHFRHEXAHEXBTDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008079907-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | claimed |