Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | ACACA | Q13085 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14425284 | 1.00 | SIGMAR1 (0.51) | SIGMAR1HRH3NAMPTACACBACACA | |
| SCHEMBL5368483 | 0.90 | ACHE (0.45) | SIGMAR1ACACBACACAKDM1AKDM4E | |
| SCHEMBL14425292 | 0.90 | ACHE (0.45) | SIGMAR1ACACBACACAKDM1AKDM4E | |
| SCHEMBL14425293 | 0.88 | SIGMAR1 (0.43) | SIGMAR1ACACBACACAKDM1AACHE | |
| SCHEMBL5378502 | 0.88 | SIGMAR1 (0.43) | SIGMAR1ACACBACACAKDM1AACHE | |
| SCHEMBL5364859 | 0.81 | SIGMAR1 (0.52) | SIGMAR1HRH3KDM1AKDM4EPKM | |
| SCHEMBL14425169 | 0.81 | SIGMAR1 (0.52) | SIGMAR1HRH3KDM1AKDM4EPKM | |
| SCHEMBL14425155 | 0.81 | SIGMAR1 (0.49) | SIGMAR1HRH3KDM4EPKM | |
| SCHEMBL14438635 | 0.80 | SIGMAR1 (0.51) | SIGMAR1HRH3KDM1AKDM4EPKM | |
| SCHEMBL2863458 | 0.80 | TAS1R3 (0.53) | ACACBACACA |
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 |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |