Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 0.39 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6833400 | 0.83 | TRPV4 (0.35) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL7221974 | 0.81 | GRM4 (0.43) | NPC1RAB9AGRM5MAPK7KDM4E | |
| SCHEMBL6835980 | 0.80 | SPR (0.34) | NOTUMKMT2A | |
| SCHEMBL7216152 | 0.80 | PDE4B (0.42) | NPC1RAB9AGRM5MAPK7SYK | |
| SCHEMBL6834410 | 0.75 | NPC1 (0.36) | NPC1RAB9AGRM5MAPK7KDM4E | |
| SCHEMBL7218318 | 0.74 | LMNA (0.36) | NPC1RAB9AGRM5MAPK7KDM4E | |
| SCHEMBL7222852 | 0.69 | NPC1 (0.43) | NPC1RAB9AGRM5KDM4EALDH1A1 | |
| SCHEMBL6834309 | 0.69 | LMNA (0.42) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL6834487 | 0.68 | GAA (0.43) | NPC1RAB9AGRM5KDM4EALDH1A1 | |
| SCHEMBL7218324 | 0.68 | MAPT (0.42) | NPC1RAB9AKDM4EALDH1A1LMNA |
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-6653471-B2 | Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction | NEUROGEN CORPORATION | 2003-11-25 | — | — | US | disclosed |