Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.39 |
| ▸ | NSD2 | O96028 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | APAF1 | O14727 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30728628 | 0.81 | NSD2 (0.46) | NPC1RAB9AMAPK1NSD2KDM4E | |
| SCHEMBL16098783 | 0.81 | NSD2 (0.46) | NPC1RAB9AMAPK1NSD2KDM4E | |
| SCHEMBL2539130 | 0.81 | NPC1 (0.52) | NPC1RAB9AMAPK1NSD2KDM4E | |
| SCHEMBL25457780 | 0.78 | NSD2 (0.45) | NPC1RAB9AMAPK1NSD2KDM4E | |
| SCHEMBL14219667 | 0.78 | NSD2 (0.45) | NPC1RAB9AMAPK1NSD2KDM4E | |
| SCHEMBL29666111 | 0.75 | NPC1 (0.46) | NPC1RAB9AMAPK1NSD2KDM4E | |
| SCHEMBL18338949 | 0.75 | NPC1 (0.46) | NPC1RAB9AMAPK1NSD2KDM4E | |
| SCHEMBL22444361 | 0.71 | KDM4E (0.38) | KDM4EALDH1A1HPGDCYP1A2LMNA | |
| SCHEMBL9621309 | 0.70 | NPC1 (0.43) | NPC1RAB9AMAPK1NSD2KDM4E | |
| SCHEMBL17014810 | 0.70 | KDM4E (0.48) | NPC1RAB9AMAPK1NSD2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013027794-A1 | NOVEL COMPOUND AND USE THEREOF AS PDE10 INHIBITOR | 田辺三菱製薬株式会社 (JP) | 2013-02-28 | — | — | WO | disclosed |