Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | PKM | P14618 | 3/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | MECP2 | P51608 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL175118 | 0.88 | RAB9A (0.58) | SMN1; SMN2NPC1RAB9AMAPTPKM | |
| SCHEMBL174930 | 0.86 | RAB9A (0.52) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL4569778 | 0.84 | MEN1 (0.53) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL174936 | 0.84 | MEN1 (0.51) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL173758 | 0.82 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL27807412 | 0.82 | MAPT (0.51) | SMN1; SMN2NPC1RAB9AMAPTPKM | |
| SCHEMBL175067 | 0.81 | MAPT (0.52) | SMN1; SMN2RAB9AMAPTPKMMAPK1 | |
| SCHEMBL175419 | 0.81 | MAPT (0.54) | RAB9AMAPTMEN1KMT2AABCG2 | |
| SCHEMBL174986 | 0.79 | KMT2A (0.52) | SMN1; SMN2NPC1RAB9AMAPTPKM | |
| SCHEMBL174238 | 0.78 | DDX3X (0.52) | NPC1RAB9AMAPTTP53MEN1 |
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 4 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 |
| EP-2611806-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Ascepion Pharmaceuticals, Inc. (CN) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028106-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ASCEPION PHARMACEUTICALS, INC. (CN) | 2012-03-08 | — | — | WO | disclosed |