Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL20118395 | 0.88 | KMT2A (0.39) | KMT2AMEN1GAACASP6TSHR | |
| SCHEMBL20118396 | 0.83 | ADRA1D (0.36) | KMT2AGAATSHRALDH1A1L3MBTL1 | |
| SCHEMBL20118108 | 0.82 | PSEN1 (0.35) | KMT2AMEN1GAACASP6ALDH1A1 | |
| SCHEMBL20118049 | 0.80 | CASP6 (0.36) | KMT2AMEN1GAACASP6ALDH1A1 | |
| SCHEMBL18208388 | 0.77 | KMT2A (0.42) | KMT2AMEN1GAACASP6TSHR | |
| SCHEMBL18216046 | 0.77 | KMT2A (0.42) | KMT2AMEN1GAACASP6TSHR | |
| SCHEMBL18208871 | 0.76 | KMT2A (0.44) | KMT2AMEN1GAACASP6TSHR | |
| SCHEMBL18209085 | 0.75 | KMT2A (0.42) | KMT2AMEN1GAACASP6TSHR | |
| SCHEMBL20118191 | 0.72 | CRHR1 (0.43) | KMT2AMEN1P2RX7 | |
| SCHEMBL20118132 | 0.70 | LMNA (0.46) | — |
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 |