Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.45 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CHAT | P28329 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4B | O94953 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PYGL | P06737 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541503 | 0.78 | TSHR (0.42) | G6PC1IDO1TDO2MAPTLMNA | |
| SCHEMBL1132385 | 0.74 | ALDH1A1 (0.39) | ALDH1A1KMT2AMAPTLMNATSHR | |
| SCHEMBL11711167 | 0.73 | NPFFR1 (0.36) | NPFFR2KMT2ANPC1MAPTLMNA | |
| SCHEMBL11708990 | 0.73 | APP (0.42) | KMT2AMAPTMEN1 | |
| Fluoride SCHEMBL27260416 | 0.72 | ALDH1A1 (0.38) | ALDH1A1KMT2AMAPTLMNATSHR | |
| SCHEMBL9539397 | 0.71 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9AMAPTLMNA | |
| SCHEMBL10712182 | 0.71 | CHAT (0.58) | ALDH1A1G6PC1CHATKDM4AKDM4B | |
| SCHEMBL10712185 | 0.71 | CHAT (0.58) | ALDH1A1G6PC1CHATKDM4AKDM4B | |
| SCHEMBL2479592 | 0.71 | ALDH1A1 (0.52) | ALDH1A1G6PC1NPFFR2KMT2ANPSR1 | |
| SCHEMBL19036493 | 0.71 | CHAT (0.58) | ALDH1A1G6PC1CHATKDM4AKDM4B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0311955-B1 | BICYCLIC PEROXIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| US-5134240-A | Malaria therapy | HOFFMANN-LAROCHE, INC. (US) | 1992-07-28 | — | — | US | disclosed |
| US-4977184-A | Bicyclic peroxides compositions for and treatment of malaria therewith | HOFFMANN-LA ROCHE INC. (US) | 1990-12-11 | — | — | US | disclosed |
| EP-0311955-A2 | Bicyclic peroxide | F. HOFFMANN-LA ROCHE AG (CH) | 1989-04-19 | — | — | EP | disclosed |