Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.54 |
| ▸ | FABP1 | P07148 | 1/20 | 0.49 |
| ▸ | FABP6 | P51161 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | GPR39 | O43194 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1136962 | 0.84 | NOS2 (0.47) | FABP1FABP6GAATP53TSHR | |
| SCHEMBL28467501 | 0.79 | CXCR4 (0.68) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL3944185 | 0.78 | CXCR4 (0.82) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL28471889 | 0.77 | CXCR4 (0.74) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL28471562 | 0.76 | KDM4E (0.64) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL28468337 | 0.75 | KDM4E (0.62) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL29351787 | 0.75 | CYP1A2 (0.43) | KDM4ENPC1RAB9AGAATP53 | |
| SCHEMBL22530030 | 0.75 | CYP1A2 (0.43) | KDM4ENPC1RAB9AGAATP53 | |
| SCHEMBL6836678 | 0.74 | MAPT (0.55) | KDM4EGAA | |
| SCHEMBL1137054 | 0.73 | RAF1 (0.51) | TP53TSHRHDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101128199-B | Monocyclic heterocycles as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2013-07-24 | — | — | CN | disclosed |
| CN-101128199-A | Monocyclic heterocycles as kinase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2008-02-20 | — | — | CN | disclosed |