Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 12/20 | 0.38 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | PHOSPHO1 | Q8TCT1 | 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 | |
|---|---|---|---|---|
| SCHEMBL20103445 | 0.75 | P2RX7 (0.52) | MEN1KMT2AGAACASP6ALDH1A1 | |
| SCHEMBL20118039 | 0.70 | KMT2A (0.46) | MEN1KMT2AGAACASP6ALDH1A1 | |
| SCHEMBL3654179 | 0.70 | P2RX7 (0.52) | MEN1KMT2AGAACASP6ALDH1A1 | |
| SCHEMBL20118221 | 0.68 | MAPK13 (0.38) | MEN1KMT2AGAACASP6ALDH1A1 | |
| SCHEMBL231592 | 0.67 | ADRB1 (0.56) | ALDH1A1 | |
| SCHEMBL30952449 | 0.67 | ADRB1 (0.56) | ALDH1A1 | |
| SCHEMBL28224399 | 0.67 | ALDH1A1 (0.62) | GAAALDH1A1P2RX7 | |
| Hydrochloric Acid SCHEMBL5988236 | 0.66 | ADRB1 (0.55) | GAAALDH1A1 | |
| SCHEMBL20118182 | 0.65 | PDE4B (0.39) | MEN1KMT2AGAACASP6ALDH1A1 | |
| SCHEMBL15173292 | 0.63 | TNKS (0.60) | KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018078009-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-03 | — | — | WO | disclosed |