Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6155027 | 0.88 | KDM4E (0.34) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL6154947 | 0.86 | KDM4E (0.33) | NPC1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8424098 | 0.84 | SIGMAR1 (0.36) | SIGMAR1NPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6155518 | 0.84 | IDO1 (0.44) | — | |
| SCHEMBL6156264 | 0.84 | KDM4E (0.47) | SIGMAR1NPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6155300 | 0.83 | MEN1 (0.36) | NPC1RAB9AKDM4EGAA | |
| SCHEMBL6155016 | 0.83 | CDC25B (0.37) | SIGMAR1NPC1CYP3A4RAB9AKDM4E | |
| SCHEMBL6719241 | 0.83 | CYP1A2 (0.37) | NPC1CYP1A2RAB9AKDM4EGAA | |
| Hydrochloric Acid SCHEMBL8717239 | 0.82 | CYP1A2 (0.36) | CYP1A2KDM4EGAA | |
| SCHEMBL8424140 | 0.80 | KDM4E (0.35) | CYP1A2CYP2C19KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0584088-B1 | SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS | CAMBRIDGE NEUROSCIENCE RES (US) | 1999-10-27 | — | — | EP | claimed |