Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20000837 | 0.90 | NPC1 (0.38) | ALDH1A1NPC1RAB9AL3MBTL1PDE5A | |
| SCHEMBL4468907 | 0.90 | NPC1 (0.38) | ALDH1A1NPC1RAB9AL3MBTL1PDE5A | |
| SCHEMBL27552574 | 0.85 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9AL3MBTL1KDM4E | |
| SCHEMBL13708578 | 0.83 | BACE1 (0.35) | ALDH1A1NPC1RAB9AL3MBTL1PDE5A | |
| SCHEMBL20000838 | 0.83 | KCNA5 (0.42) | ALDH1A1MDM2LMNAKMT2A | |
| SCHEMBL4470767 | 0.82 | ALDH1A1 (0.36) | ALDH1A1NPC1RAB9AL3MBTL1GAA | |
| SCHEMBL4459450 | 0.80 | KDM4E (0.46) | ALDH1A1NPC1RAB9AL3MBTL1KDM4E | |
| SCHEMBL4476857 | 0.80 | NPC1 (0.40) | ALDH1A1NPC1RAB9AL3MBTL1CACNA1B | |
| SCHEMBL4479423 | 0.79 | MDM2 (0.47) | KDM4EPOLBALOX15MDM2TP53 | |
| SCHEMBL20000833 | 0.77 | MCL1 (0.36) | ALDH1A1NPC1RAB9AL3MBTL1MDM2 |
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-2018058109-A1 | COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS | NUSIRT SCIENCES, INC. (US) | 2018-03-29 | — | — | WO | disclosed |