Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2647043 | 0.89 | EPHX1 (0.55) | EPHX1CYP2C19CYP2C9LOXL2NPC1 | |
| SCHEMBL9834170 | 0.82 | EPHX1 (0.56) | EPHX1CYP2C19CYP2C9LOXL2NPC1 | |
| SCHEMBL4982285 | 0.78 | CYP2C9 (0.55) | EPHX1CYP2C19CYP2C9HIF1ANPC1 | |
| SCHEMBL25333155 | 0.77 | EPHX1 (0.52) | EPHX1CYP2C19CYP2C9LOXL2NPC1 | |
| SCHEMBL27495306 | 0.77 | CYP2C9 (0.61) | EPHX1CYP2C19CYP2C9HIF1AEPHX2 | |
| SCHEMBL2692900 | 0.77 | LDHA (0.62) | LOXL2NPC1MEN1KMT2ACYP4A11 | |
| SCHEMBL6177614 | 0.77 | LDHA (0.63) | CYP2C19CYP2C9HIF1AALDH1A1SMN1; SMN2 | |
| SCHEMBL25334126 | 0.76 | EPHX1 (0.51) | EPHX1CYP2C19CYP2C9LOXL2NPC1 | |
| SCHEMBL2659242 | 0.76 | LMNA (0.49) | EPHX1NPC1ALDH1A1SMN1; SMN2EPHX2 | |
| SCHEMBL11859248 | 0.76 | PTGS1 (0.58) | EPHX1CYP2C19CYP2C9HIF1AKMT2A |
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-1169312-A2 | GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000058293-A2 | GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-10-05 | — | — | WO | disclosed |