Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 4/20 | 0.40 |
| ▸ | USP7 | Q93009 | 2/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | IL4 | P05112 | 1/20 | 0.40 |
| ▸ | F11 | P03951 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21802136 | 0.81 | PIK3CG (0.47) | ESR1ESR2PIK3CGHSD17B1HSD17B2 | |
| SCHEMBL27631669 | 0.78 | ADORA2A (0.55) | ESR1ESR2PIK3CGADORA2AADORA1 | |
| SCHEMBL27613037 | 0.78 | PIK3CG (0.44) | ESR1ESR2PIK3CGADORA2AADORA1 | |
| SCHEMBL28753644 | 0.76 | ADORA1 (0.49) | CHUKADORA2AADORA1ADORA2B | |
| SCHEMBL27631912 | 0.75 | PIK3CG (0.44) | PIK3CGADORA2AADORA1ADORA2B | |
| SCHEMBL27631800 | 0.75 | MCL1 (0.48) | PIK3CGKDM4ETDP1 | |
| SCHEMBL27612525 | 0.74 | ADORA2A (0.63) | PIK3CGXDHCHUKADORA2AADORA1 | |
| SCHEMBL27612872 | 0.74 | PIK3CG (0.56) | PIK3CGCHUKUSP7IKBKBADORA2A | |
| SCHEMBL27631926 | 0.73 | PIK3CG (0.48) | PIK3CGKDM4E | |
| SCHEMBL1116418 | 0.72 | PIK3CG (0.60) | PIK3CGCHUKIKBKBADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |