Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL7743123 | 0.76 | HPGD (0.42) | DAOCES2CES1HPGDALDH1A1 | |
| Cyclohexanone SCHEMBL28180014 | 0.74 | LCK (0.68) | LCKFYNDAOCES2CES1 | |
| SCHEMBL8038758 | 0.74 | HSD17B10 (0.43) | DAOCES2CES1HPGDALDH1A1 | |
| SCHEMBL6186179 | 0.69 | MAPT (0.41) | LCKFYNDAOCES2CES1 | |
| SCHEMBL6187585 | 0.69 | MAPT (0.41) | LCKFYNDAOCES2CES1 | |
| SCHEMBL11729891 | 0.69 | DAO (0.50) | DAOCES2CES1HDAC1HPGD | |
| Oxalic Acid SCHEMBL6968596 | 0.69 | LCK (0.67) | LCKFYNDAOCES2CES1 | |
| SCHEMBL18734779 | 0.69 | LCK (0.67) | LCKFYNDAOCES2CES1 | |
| SCHEMBL3957096 | 0.69 | CES2 (0.77) | LCKFYNDAOCES2CES1 | |
| SCHEMBL152166 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4005095-A | PERIPHERAL-CORONARY-CEREBRAL VASODILATORS, DECONGESTANTS, SPASMOLYTIC AND PAPAVERINE-LIKE ACTIVITY | INNOTHERA (FR) | 1977-01-25 | — | — | US | disclosed |