Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | CTSA | P10619 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 3/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12724236 | 0.89 | CDK9 (0.38) | NPC1RAB9AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL6032853 | 0.84 | KCNQ3 (0.38) | NPC1RAB9AKDM4EABL1LMNA | |
| SCHEMBL1632638 | 0.81 | CTSA (0.34) | NPC1RAB9AKDM4ECTSASMN1; SMN2 | |
| SCHEMBL6032111 | 0.80 | PSEN1 (0.41) | CTSAMAPTLMNAALDH1A1SCN9A | |
| SCHEMBL12724241 | 0.76 | CDK9 (0.40) | ABL1CDK9 | |
| SCHEMBL6032115 | 0.75 | ABL1 (0.39) | NPC1RAB9ASMN1; SMN2KMT2AABL1 | |
| SCHEMBL1631538 | 0.74 | GAA (0.40) | SMN1; SMN2MAPTKMT2ALMNAL3MBTL1 | |
| SCHEMBL1633359 | 0.72 | ABL1 (0.40) | KMT2AABL1ALDH1A1L3MBTL1SCN9A | |
| SCHEMBL1632265 | 0.71 | CCNT1 (0.41) | ABL1CDK1CDK2CDK9MAPK1 | |
| SCHEMBL1633056 | 0.71 | CCNT1 (0.44) | KDM4EMAPTKMT2AABL1LMNA |
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-1640366-A1 | HETEROCYCLIC METHYL SULFONE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-03-29 | — | — | EP | disclosed |