Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.64 |
| ▸ | RAB9A | P51151 | 12/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.64 |
| ▸ | HTT | P42858 | 4/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 9/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.63 |
| ▸ | MAPT | P10636 | 9/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.60 |
| ▸ | RELA | Q04206 | 4/20 | 0.60 |
| ▸ | SCD | O00767 | 5/20 | 0.60 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | CASP2 | P42575 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL10531725 | 0.85 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2HTTCYP1A2 | |
| SCHEMBL19597485 | 0.85 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2HTTCYP1A2 | |
| SCHEMBL10531711 | 0.85 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2HTTCYP1A2 | |
| SCHEMBL1307056 | 0.83 | MAPT (0.82) | NPC1RAB9ASMN1; SMN2HTTCYP1A2 | |
| SCHEMBL211725 | 0.82 | DYRK1A (0.65) | NPC1RAB9ASMN1; SMN2HTTCYP1A2 | |
| SCHEMBL8280120 | 0.81 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2HTTCYP1A2 | |
| SCHEMBL16317400 | 0.81 | SCD (0.51) | NPC1RAB9ASMN1; SMN2HTTCYP1A2 | |
| SCHEMBL2114859 | 0.80 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2HTTCYP1A2 | |
| SCHEMBL14189675 | 0.80 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2HTTDYRK1A | |
| SCHEMBL10991640 | 0.80 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2HTTCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088793-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| WO-2005092899-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2005-10-06 | — | — | WO | disclosed |