Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STING1 | Q86WV6 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | GRIK1 | P39086 | 5/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | DDX3X | O00571 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| SCHEMBL174936 | 0.87 | MEN1 (0.51) | STING1GRIK1LMNAMEN1KMT2A | |
| SCHEMBL4569778 | 0.85 | MEN1 (0.53) | TRPV1LMNAMEN1KMT2ANPC1 | |
| SCHEMBL174986 | 0.85 | KMT2A (0.52) | TRPV1GRM5MEN1KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL174066 | 0.84 | KMT2A (0.51) | TRPV1GRM5MEN1KMT2ANPC1 | |
| SCHEMBL175596 | 0.83 | MEN1 (0.56) | GRM5MEN1KMT2ANPC1ALOX15 | |
| SCHEMBL175205 | 0.82 | KDR (0.58) | TRPV1GRM5GRIK1LMNAMEN1 | |
| SCHEMBL175118 | 0.82 | RAB9A (0.58) | TRPV1GRIK1LMNAMEN1KMT2A | |
| SCHEMBL175199 | 0.82 | HTT (0.51) | GRIK1LMNAMEN1KMT2ANPC1 | |
| SCHEMBL174930 | 0.80 | RAB9A (0.52) | STING1MEN1KMT2ANPC1ALOX15 | |
| SCHEMBL175067 | 0.78 | MAPT (0.52) | LMNAMEN1KMT2ARAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2611806-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Ascepion Pharmaceuticals, Inc. (CN) | 2013-07-10 | — | — | EP | claimed |
| WO-2012028106-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ASCEPION PHARMACEUTICALS, INC. (CN) | 2012-03-08 | — | — | WO | claimed |