Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12180668 | 0.84 | POLB (0.43) | ACACB | |
| SCHEMBL2592595 | 0.81 | HDAC3 (0.39) | EPHX2HSD11B1CYP2C9NPY5RHDAC3 | |
| SCHEMBL2592588 | 0.81 | HDAC3 (0.39) | EPHX2HSD11B1CYP2C9NPY5RHDAC3 | |
| SCHEMBL14919198 | 0.75 | EPHX2 (0.64) | EPHX2ACACBCACNA1CCYP2C9HDAC3 | |
| SCHEMBL23928898 | 0.69 | EPHX2 (0.54) | EPHX2ACACBCACNA1CNPC1HDAC3 | |
| SCHEMBL22980435 | 0.67 | POLB (0.47) | EPHX2ACACB | |
| SCHEMBL21383845 | 0.67 | HDAC3 (0.48) | EPHX2HSD11B1CYP2C9NPY5RHDAC3 | |
| SCHEMBL12180373 | 0.67 | KMT2A (0.47) | NPC1CYP2C19ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL12180395 | 0.66 | PDK4 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2594758 | 0.66 | PDK4 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2595989-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |
| WO-2011140425-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-10 | — | — | WO | disclosed |