Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19493337 | 0.92 | SIGMAR1 (0.52) | SIGMAR1KCNH2CNR2THRATHRB | |
| SCHEMBL18137939 | 0.88 | KCNH2 (0.61) | SIGMAR1KCNH2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL13811536 | 0.83 | SIGMAR1 (0.59) | SIGMAR1KCNH2FDPS | |
| SCHEMBL18773747 | 0.82 | SIGMAR1 (0.86) | SIGMAR1KCNH2FDPS | |
| Water SCHEMBL31499000 | 0.81 | KCNH2 (0.54) | KCNH2 | |
| SCHEMBL19146986 | 0.79 | SIGMAR1 (0.55) | SIGMAR1KCNH2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL25701595 | 0.79 | SIGMAR1 (0.54) | SIGMAR1 | |
| SCHEMBL19993245 | 0.78 | SIGMAR1 (0.67) | SIGMAR1TAAR1 | |
| SCHEMBL24527702 | 0.78 | SIGMAR1 (0.53) | SIGMAR1TAAR1 | |
| SCHEMBL23945277 | 0.78 | SIGMAR1 (0.41) | SIGMAR1KCNH2CYP1A2CYP2A6TAAR1 |
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-3448850-B1 | PIPERIDINYL DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-11-04 | — | — | EP | disclosed |