Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.68 |
| ▸ | RAB9A | P51151 | 11/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.66 |
| ▸ | HPGD | P15428 | 4/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | AHR | P35869 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.58 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL17318658 | 0.82 | NPC1 (0.77) | NPC1RAB9ATDP1KDM4EALDH1A1 | |
| SCHEMBL17318671 | 0.81 | NPC1 (1.00) | NPC1RAB9ATDP1KDM4EALDH1A1 | |
| SCHEMBL17318684 | 0.79 | KDM4E (0.69) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL17318654 | 0.79 | NPC1 (0.69) | NPC1RAB9ATDP1KDM4EALDH1A1 | |
| SCHEMBL17725645 | 0.76 | KDM4E (0.72) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11403103 | 0.75 | ALDH1A1 (0.77) | NPC1RAB9ATDP1KDM4EALDH1A1 | |
| SCHEMBL13357689 | 0.75 | NPC1 (0.74) | NPC1RAB9ATDP1KDM4EALDH1A1 | |
| SCHEMBL17318581 | 0.75 | NPC1 (0.69) | NPC1RAB9ATDP1KDM4EALDH1A1 | |
| SCHEMBL6638013 | 0.74 | TSHR (0.73) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11392711 | 0.74 | TP53 (0.65) | NPC1RAB9AKDM4EALDH1A1SMN1; 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-2015187827-A1 | NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2015-12-10 | — | — | WO | disclosed |