Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.37 |
| ▸ | LSS | P48449 | 2/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 7/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7506904 | 0.95 | NPC1 (0.44) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL8710027 | 0.84 | KMT2A (0.47) | NPC1RAB9ASMN1; SMN2L3MBTL1LSS | |
| SCHEMBL6954941 | 0.78 | TSHR (0.41) | L3MBTL1LSSATMALDH1A1SOAT1 | |
| SCHEMBL6950035 | 0.78 | TSHR (0.41) | L3MBTL1LSSATMALDH1A1SOAT1 | |
| SCHEMBL7751422 | 0.75 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9150109 | 0.73 | LSS (0.47) | NPC1L3MBTL1LSSALDH1A1MTOR | |
| SCHEMBL6036578 | 0.72 | HDAC1 (0.56) | L3MBTL1LSSALDH1A1HDAC3HDAC4 | |
| SCHEMBL8971665 | 0.70 | HDAC1 (0.57) | L3MBTL1LSSALDH1A1HDAC3HDAC4 | |
| SCHEMBL16581484 | 0.69 | KDM4E (0.49) | NPC1SMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL16581586 | 0.69 | KDM4E (0.49) | NPC1SMN1; SMN2L3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0541081-B1 | Compounds with only a side chain for use in liquid crystal mixtures | AVENTIS RES & TECH GMBH & CO (DE) | 2002-04-10 | — | — | EP | disclosed |
| EP-0541081-A2 | Compounds with only a side chain for use in liquid crystal mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-05-12 | — | — | EP | disclosed |