Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
| ▸ | ATP1A1 | P05023 | 3/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 3/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 3/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.33 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.33 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GLI1 | P08151 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4663722 | 0.80 | MAOA (0.35) | TACR1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL4667252 | 0.78 | OPRM1 (0.37) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL4665510 | 0.76 | SIGMAR1 (0.36) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL4663552 | 0.75 | CHRM2 (0.38) | TACR1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL4665556 | 0.75 | SIGMAR1 (0.39) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL5719790 | 0.75 | ATP1A1 (0.33) | TACR1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL4664155 | 0.75 | OPRK1 (0.38) | TACR1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL4667320 | 0.73 | OPRK1 (0.50) | — | |
| SCHEMBL4664188 | 0.70 | TRPA1 (0.35) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL7739386 | 0.69 | SRD5A1 (0.38) | TACR1MAOAKDM4EAKR1C3AKR1C1 |
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 |