Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 4/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9354704 | 0.78 | CES2 (0.34) | NPC1RAB9AGLAALDH1A1TDP1 | |
| SCHEMBL9354690 | 0.78 | MAPT (0.41) | NPC1RAB9AGLAALDH1A1LMNA | |
| SCHEMBL5337930 | 0.70 | NPC1 (0.36) | NPC1RAB9AGLAALDH1A1KDM4E | |
| SCHEMBL5724562 | 0.69 | GLA (0.31) | NPC1RAB9AGLAALDH1A1TDP1 | |
| SCHEMBL10437849 | 0.67 | GLA (0.40) | GLAALDH1A1TDP1KDM4EMAPT | |
| SCHEMBL4113192 | 0.67 | ALDH1A1 (0.40) | NPC1RAB9AGLAALDH1A1TDP1 | |
| SCHEMBL10437852 | 0.67 | GLA (0.40) | GLAALDH1A1TDP1KDM4EMAPT | |
| SCHEMBL7630715 | 0.66 | TDP1 (0.49) | GLAALDH1A1TDP1LMNAKDM4E | |
| SCHEMBL7344540 | 0.65 | ALDH1A1 (0.34) | GLAALDH1A1TDP1KDM4EMAPT | |
| SCHEMBL7339045 | 0.65 | ALDH1A1 (0.34) | GLAALDH1A1TDP1KDM4EMAPT |
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-2013025628-A1 | JANUS KINASE INHIBITOR COMPOUNDS AND METHODS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2013-02-21 | — | — | WO | disclosed |