Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27453893 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HTTCHKASMN1; SMN2TP53 | |
| SCHEMBL28645295 | 0.82 | ALDH1A1 (0.65) | ALDH1A1HTTCHKASMN1; SMN2KDM4E | |
| SCHEMBL19211653 | 0.82 | ALDH1A1 (0.45) | ALDH1A1HTTCHKAPKMSMN1; SMN2 | |
| SCHEMBL13582087 | 0.79 | IDO1 (0.49) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL17724080 | 0.78 | HRH3 (0.51) | ALDH1A1HTTSMN1; SMN2TP53KDM4E | |
| SCHEMBL16497656 | 0.78 | CXCR4 (0.47) | ALDH1A1HTTKMT2AMEN1 | |
| SCHEMBL18585928 | 0.77 | PRMT6 (0.49) | ALDH1A1HTTPKMKDM4EKMT2A | |
| SCHEMBL10245285 | 0.76 | MAPT (0.53) | MAPTKDM4EMAPK1 | |
| SCHEMBL23696933 | 0.74 | DRD4 (0.44) | ALDH1A1TP53MAPTKDM4E | |
| SCHEMBL23696895 | 0.73 | KDM4E (0.46) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E |
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-2528897-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | Otsuka Pharmaceutical Co., Ltd. (JP) | 2012-12-05 | — | — | EP | disclosed |
| WO-2011093524-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-04 | — | — | WO | disclosed |