Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21347385 | 0.68 | MAPT (0.72) | NPC1RAB9ALMNAKDM4ESMN1; SMN2 | |
| SCHEMBL26296832 | 0.67 | CYP1A2 (0.43) | NPC1RAB9ALMNAKDM4ESMN1; SMN2 | |
| SCHEMBL21347434 | 0.66 | ALDH1A1 (0.62) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| SCHEMBL31137907 | 0.64 | POLB (0.67) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| SCHEMBL578591 | 0.64 | POLB (0.67) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| SCHEMBL3824227 | 0.63 | KDM4E (0.69) | NPC1RAB9ALMNAKDM4ESMN1; SMN2 | |
| SCHEMBL758123 | 0.63 | KDM4E (1.00) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| SCHEMBL31418070 | 0.63 | KDM4E (1.00) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL31575651 | 0.62 | POLB (0.64) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| SCHEMBL16891539 | 0.62 | POLB (0.51) | NPC1RAB9AKDM4ECACNA1ISMN1; SMN2 |
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-2019173437-A1 | POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2019-09-12 | — | — | WO | disclosed |