Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12309272 | 0.80 | PDE10A (0.51) | PDE10ASMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL10066413 | 0.80 | PDE10A (0.54) | PDE10ASMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL22499333 | 0.80 | PDE10A (0.51) | PDE10ASMN1; SMN2NPC1RAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL1716596 | 0.78 | PDE10A (0.50) | PDE10ASMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL22775793 | 0.78 | METTL3 (0.46) | SMN1; SMN2NPC1RAB9AKDM4EPKM | |
| SCHEMBL5074964 | 0.78 | AKR1B1 (0.49) | SMN1; SMN2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL22530925 | 0.76 | PDE10A (0.60) | PDE10ASMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL14028695 | 0.76 | KDM4E (0.65) | PDE10ASMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL7863078 | 0.75 | KDM4E (0.50) | SMN1; SMN2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL31423449 | 0.73 | BRD4 (0.47) | SMN1; SMN2NPC1RAB9AKDM4EALDH1A1 |
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-2017222950-A1 | 3-HETEROCYCLYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | disclosed |