Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.62 |
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1423325 | 0.82 | NPC1 (0.69) | NPC1RAB9ATP53GAAKDM4E | |
| SCHEMBL1422754 | 0.79 | NPC1 (0.67) | NPC1RAB9ATP53GAAKDM4E | |
| SCHEMBL1423376 | 0.78 | NPC1 (0.74) | NPC1RAB9ATP53GAAKDM4E | |
| SCHEMBL1423998 | 0.77 | NPC1 (1.00) | NPC1RAB9ATP53GAAKDM4E | |
| SCHEMBL1423366 | 0.77 | NPC1 (0.56) | NPC1RAB9ATP53GAAPTGS2 | |
| Trifluoroacetic Acid SCHEMBL4930785 | 0.76 | NPC1 (0.59) | NPC1RAB9ATP53GAAPTGS2 | |
| SCHEMBL2279942 | 0.74 | NPC1 (0.57) | NPC1RAB9ATP53GAAKDM4E | |
| SCHEMBL2274986 | 0.73 | NPC1 (0.76) | NPC1RAB9ATP53GAAKDM4E | |
| Trifluoroacetic Acid SCHEMBL3631223 | 0.73 | NPC1 (0.58) | NPC1RAB9ATP53GAAPTGS2 | |
| SCHEMBL1422882 | 0.73 | NPC1 (0.58) | NPC1RAB9ATP53GAAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2226074-A2 | Pharmaceutical compositions and their methods of use | Abbott Laboratories (US) | 2010-09-08 | — | — | EP | claimed |