Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CXCR1 | P25024 | 8/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 10/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | TSPO | P30536 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4569778 | 0.84 | MEN1 (0.53) | HTTMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL174936 | 0.84 | MEN1 (0.51) | HTTMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL174238 | 0.83 | DDX3X (0.52) | HTTMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL173846 | 0.82 | STING1 (0.53) | HTTMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL175017 | 0.81 | GAA (0.56) | MEN1KMT2AGAACXCR2ALDH1A1 | |
| SCHEMBL257377 | 0.81 | GAA (0.45) | RAB9ANPC1GAAMAPTALDH1A1 | |
| SCHEMBL173758 | 0.80 | SMN1; SMN2 (0.53) | HTTMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL173797 | 0.80 | MEN1 (0.54) | MEN1KMT2ARAB9ANPC1LMNA | |
| SCHEMBL174930 | 0.78 | RAB9A (0.52) | MEN1KMT2ARAB9ANPC1GAA | |
| SCHEMBL174986 | 0.76 | KMT2A (0.52) | MEN1KMT2ARAB9ANPC1GAA |
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 |