Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 14/20 | 0.53 |
| ▸ | PI4K2B | Q8TCG2 | 14/20 | 0.53 |
| ▸ | PI4K2A | Q9BTU6 | 14/20 | 0.53 |
| ▸ | PI4KB | Q9UBF8 | 14/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.44 |
| ▸ | AHCY | P23526 | 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 | |
|---|---|---|---|---|
| SCHEMBL27774842 | 0.79 | CYP17A1 (0.36) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL2020952 | 0.74 | PI4KA (0.59) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| Hydrochloric Acid SCHEMBL1895413 | 0.73 | PI4KA (0.57) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL27774840 | 0.72 | PI4KA (0.44) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL458772 | 0.71 | PI4KA (0.45) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL9990572 | 0.70 | MKNK2 (0.40) | — | |
| SCHEMBL28057316 | 0.70 | XDH (0.39) | — | |
| SCHEMBL5146335 | 0.69 | PI4KA (1.00) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL3538512 | 0.69 | PI4KA (0.77) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL22474983 | 0.68 | ADORA2A (0.69) | PI4KAPI4K2BPI4K2API4KBADORA2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7527952-B2 | Crystals of inosine monophosphate dehydrogenase/oxidized inosine monophosphate thiomidate intermediate/mycophenolic acid (IIMPDH/XMP*/MPA) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-05 | — | — | US | disclosed |
| US-20070124083-A1 | Molecules comprising an IMPDH-like binding pocket and encoded data storage medium capable of graphically displaying them | VERTEX PHARMACEUTICALS INCORPORATED | 2007-05-31 | — | — | US | disclosed |
| US-7216041-B1 | Methods of using the structure coordinates of molecules comprising an IMPDH-like binding pocket | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-08 | — | — | US | disclosed |
| US-6128582-A | MOLECULES OR MOLECULAR COMPLEXES THAT COMPRISE ALL OR PARTS OF EITHER ONE OR TWO OF INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE ENZYME-LIKE BINDING POCKETS, OR HOMOLOGUES OF THESE POCKETS THAT HAVE A SIMILAR THREE-DIMENSIONAL SHAPE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-10-03 | — | — | US | disclosed |
| EP-0906416-A1 | MOLECULES COMPRISING AN IMPDH-LIKE BINDING POCKET AND ENCODED DATA STORAGE MEDIUM CAPABLE OF GRAPHICALLY DISPLAYING THEM | Vertex Pharmaceuticals Incorporated (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997041211-A9 | MOLECULES COMPRISING AN IMPDH-LIKE BINDING POCKET AND ENCODED DATA STORAGE MEDIUM CAPABLE OF GRAPHICALLY DISPLAYING THEM | — | 1998-02-05 | — | — | WO | disclosed |
| WO-1997041211-A1 | MOLECULES COMPRISING AN IMPDH-LIKE BINDING POCKET AND ENCODED DATA STORAGE MEDIUM CAPABLE OF GRAPHICALLY DISPLAYING THEM | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-11-06 | — | — | WO | disclosed |
| US-5658890-A | INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1997-08-19 | — | — | US | disclosed |