Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2591066 | 0.86 | TSHR (0.44) | ATMALOX15ALDH1A1 | |
| SCHEMBL2590155 | 0.84 | KMT2A (0.35) | EPHX2CYP2C9HRH3ATMSIGMAR1 | |
| SCHEMBL2595591 | 0.81 | EPHX2 (0.39) | EPHX2CYP2C9HRH3ATMEPHX1 | |
| SCHEMBL2586822 | 0.81 | EPHX2 (0.40) | EPHX2CYP2C9HRH3ATMEPHX1 | |
| SCHEMBL14972719 | 0.77 | EPHX2 (0.38) | EPHX2CYP2C9HRH3ATMEPHX1 | |
| SCHEMBL2592085 | 0.72 | KMT2A (0.43) | CYP2C9ALDH1A1 | |
| SCHEMBL2592446 | 0.72 | GPR119 (0.38) | ATMALOX15 | |
| SCHEMBL21383845 | 0.71 | HDAC3 (0.48) | EPHX2CYP2C9SIGMAR1CYP2D6 | |
| SCHEMBL2592656 | 0.70 | HSD11B1 (0.39) | EPHX2ALDH1A1 | |
| SCHEMBL14919186 | 0.70 | HDAC8 (0.34) | ALOX15ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2595989-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-29 | — | — | EP | disclosed |