Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | KHK | P50053 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.43 |
| ▸ | SCN1A | P35498 | 2/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2096759 | 0.99 | EPHX1 (0.48) | EPHX1KMT2AKHKMEN1CYP1A2 | |
| SCHEMBL3829656 | 0.80 | KMT2A (0.46) | EPHX1KMT2AMEN1CYP1A2CYP2C9 | |
| SCHEMBL8393468 | 0.80 | ADORA2A (0.42) | KMT2AKHKMEN1 | |
| SCHEMBL8398557 | 0.80 | ADORA2A (0.42) | KMT2AKHKMEN1 | |
| SCHEMBL8397261 | 0.80 | ADORA2A (0.42) | KMT2AKHKMEN1 | |
| SCHEMBL7259516 | 0.78 | EPHX2 (0.61) | KMT2AKHKPOLBLMNAGAA | |
| SCHEMBL2029199 | 0.78 | EPHX2 (0.61) | KMT2AKHKPOLBLMNAGAA | |
| SCHEMBL22305262 | 0.77 | EPHX1 (0.54) | EPHX1KMT2AMEN1CYP2C9ALOX12 | |
| SCHEMBL22306340 | 0.77 | EPHX1 (0.54) | EPHX1KMT2AMEN1CYP2C9ALOX12 | |
| SCHEMBL15428917 | 0.75 | EPHX1 (0.51) | EPHX1KMT2AMEN1CYP2C9ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| JP-59051272-A | — | — | None | — | — | JP | disclosed |
| JP-S5951272-A | 2-(HEXAHYDROAZEPINO)-N-(2,6-DIMETHYLPHENYL)-ACETAMIDE, MANUFACTURE AND MEDICINE | MEDEIKEMU SA | 1984-03-24 | — | — | JP | disclosed |