Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 10/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL20118108 | 1.00 | PSEN1 (0.35) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20118049 | 0.86 | CASP6 (0.36) | CASP6KMT2AALDH1A1MAPTP2RX7 | |
| SCHEMBL20118169 | 0.86 | P2RX7 (0.35) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20118172 | 0.86 | P2RX7 (0.35) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20118389 | 0.83 | GRM5 (0.33) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20118223 | 0.83 | GRM5 (0.33) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20118162 | 0.82 | KMT2A (0.40) | CASP6KMT2AALDH1A1HSD11B1P2RX7 | |
| SCHEMBL20118057 | 0.81 | BCL2A1 (0.34) | HSD11B1 | |
| SCHEMBL20118191 | 0.79 | CRHR1 (0.43) | KMT2AP2RX7CRHR1CRHR2MEN1 | |
| SCHEMBL20118047 | 0.79 | RORC (0.43) | KMT2ACRHR1CRHR2MEN1 |
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 |