Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.35 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.33 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.33 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667252 | 0.94 | OPRM1 (0.37) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL4663722 | 0.87 | MAOA (0.35) | CYP3A4CYP2D6OPRM1OPRL1ATP1A1 | |
| SCHEMBL6676478 | 0.83 | SLC18A3 (0.40) | SLC18A3OPRM1OPRL1 | |
| Hydrochloric Acid SCHEMBL7737765 | 0.82 | SLC18A3 (0.39) | SLC18A3OPRM1OPRL1 | |
| SCHEMBL4664194 | 0.76 | TACR1 (0.34) | CYP3A4CYP2D6ATP1A1ATP1B1ATP1A3 | |
| SCHEMBL6678803 | 0.76 | OPRM1 (0.40) | SLC18A3OPRM1OPRL1 | |
| SCHEMBL4663964 | 0.74 | OPRM1 (0.39) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL4664155 | 0.72 | OPRK1 (0.38) | MEN1KMT2AOPRM1OPRL1ATP1A1 | |
| SCHEMBL4663552 | 0.72 | CHRM2 (0.38) | SIGMAR1OPRM1OPRL1ATP1A1ATP1B1 | |
| SCHEMBL5719790 | 0.72 | ATP1A1 (0.33) | OPRM1ATP1A1ATP1B1ATP1A3ATP1B2 |
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-1571140-B1 | C-substituted cyclohexylmethylamine derivatives | GRUENENTHAL GMBH (DE) | 2008-11-12 | — | — | EP | claimed |