Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4192118 | 0.88 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL1375048 | 0.85 | KDM4E (0.53) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL13853226 | 0.82 | JUN (0.43) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL5260549 | 0.78 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL5265309 | 0.77 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL5335693 | 0.76 | L3MBTL1 (0.47) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL13853225 | 0.74 | TUBB4A (0.49) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL22440652 | 0.74 | KDM4E (0.47) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL1007071 | 0.73 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL1498542 | 0.72 | KDM4E (0.50) | ALDH1A1RAB9ANPC1LMNAATM |
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-1824828-A2 | PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS | Peakdale Molecular Limited (GB) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006059103-A2 | PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS | PEAKDALE MOLECULAR LIMITED (GB) | 2006-06-08 | — | — | WO | disclosed |