Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | ATM | Q13315 | 1/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | MTOR | P42345 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | VCP | P55072 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.51 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8210091 | 0.90 | HSD17B10 (0.58) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL19472000 | 0.86 | CYP19A1 (0.78) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL1864802 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL29411164 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL5814905 | 0.82 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL1987675 | 0.82 | CYP3A4 (0.71) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL5814908 | 0.82 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL5911216 | 0.82 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL29399800 | 0.82 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL29318 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5792840-A | SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES | SANKYO COMPANY, LIMITED (JP) | 1998-08-11 | — | — | US | disclosed |
| EP-0437016-B1 | Lipid A analogues having immunoactivating and anti-tumour activity | SANKYO CO (JP) | 1996-05-01 | — | — | EP | disclosed |
| EP-0437016-A2 | Lipid A analogues having immunoactivating and anti-tumour activity | Sankyo Company Limited (JP) | 1991-07-17 | — | — | EP | disclosed |