Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8933817 | 0.85 | CYP2A6 (0.44) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E | |
| SCHEMBL11723042 | 0.78 | CYP2A6 (0.52) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E | |
| SCHEMBL5144913 | 0.77 | CYP2A6 (0.50) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E | |
| SCHEMBL9510748 | 0.75 | CYP2A6 (0.48) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E | |
| SCHEMBL7735652 | 0.72 | HSD17B1 (0.49) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E | |
| SCHEMBL29566047 | 0.72 | CYP1A2 (0.54) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E | |
| SCHEMBL29566387 | 0.72 | CYP1A2 (0.54) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E | |
| SCHEMBL190030 | 0.72 | CYP1A2 (0.54) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E | |
| SCHEMBL443070 | 0.72 | CYP1A2 (0.79) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E | |
| SCHEMBL29447161 | 0.72 | CYP1A2 (0.79) | CYP1A2CYP2A6HSD17B1HSD17B2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4439618-A | Process for the preparation of methyl esters of arylpropionic acids optically active | MONTEDISON S.P.A. (IT) | 1984-03-27 | — | — | US | disclosed |
| EP-0074866-A1 | Process for the preparation of esters of arylpropionic acids optically active | Montedison S.p.A. (IT) | 1983-03-23 | — | — | EP | disclosed |