Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL28781866 | 1.00 | ALDH1A1 (0.42) | ALDH1A1NPC1HTTRAB9AKDM4E | |
| Dodecane SCHEMBL27880579 | 0.99 | ALDH1A1 (0.44) | ALDH1A1NPC1HTTRAB9AKDM4E | |
| Hexane SCHEMBL27771707 | 0.98 | HPRT1 (0.42) | ALDH1A1NPC1HTTRAB9AKDM4E | |
| Hexane SCHEMBL27897573 | 0.97 | ALDH1A1 (0.43) | ALDH1A1NPC1HTTRAB9AKDM4E | |
| Pentane SCHEMBL27304785 | 0.95 | HPRT1 (0.42) | ALDH1A1NPC1HTTRAB9AKDM4E | |
| Octane SCHEMBL27997345 | 0.95 | ALDH1A1 (0.39) | ALDH1A1NPC1HTTRAB9AKDM4E | |
| Decane SCHEMBL27621938 | 0.95 | ALDH1A1 (0.39) | ALDH1A1NPC1HTTRAB9AKDM4E | |
| SCHEMBL27593991 | 0.93 | TLR8 (0.39) | ALDH1A1NPC1HTTRAB9AKDM4E | |
| Dodecanol SCHEMBL27430468 | 0.93 | ALDH1A1 (0.40) | ALDH1A1NPC1HTTRAB9AKDM4E | |
| Decane SCHEMBL27739162 | 0.93 | DRD3 (0.38) | ALDH1A1NPC1HTTRAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101506361-A | Subtilisin from bacillus pumilus and washing and cleaning agents containing said novel subtilisin | HENKEL KGAA (DE) | 2009-08-12 | — | — | CN | disclosed |