Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16499464 | 0.86 | NPC1 (0.40) | NPC1ALDH1A1RAB9AKDM4ETP53 | |
| SCHEMBL16499475 | 0.81 | HDAC4 (0.39) | KDM4ELMNACES2CES1RARA | |
| SCHEMBL11372909 | 0.81 | ALDH1A1 (0.31) | ALDH1A1CYP1A2TDP1 | |
| SCHEMBL16499385 | 0.80 | CES2 (0.44) | NPC1RAB9AMAPTCES2CES1 | |
| SCHEMBL12813290 | 0.71 | NPC1 (0.40) | NPC1ALDH1A1RAB9AKDM4ETP53 | |
| SCHEMBL12813449 | 0.71 | RARB (0.41) | NPC1ALDH1A1RAB9AKDM4ETP53 | |
| SCHEMBL29171476 | 0.68 | CES2 (0.52) | NPC1ALDH1A1RAB9AKDM4ETP53 | |
| SCHEMBL4212692 | 0.66 | NPC1 (0.52) | NPC1ALDH1A1RAB9AKDM4ETP53 | |
| SCHEMBL238259 | 0.66 | LTA4H (0.73) | NPC1ALDH1A1RAB9AKDM4ETP53 | |
| SCHEMBL8572071 | 0.66 | LTA4H (0.73) | NPC1ALDH1A1RAB9AKDM4ETP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |
| WO-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |