Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 16/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20118124 | 0.89 | P2RX7 (0.44) | P2RX7ALDH1A1 | |
| SCHEMBL20118173 | 0.89 | P2RX7 (0.46) | P2RX7 | |
| SCHEMBL20118180 | 0.82 | P2RX7 (0.41) | P2RX7 | |
| SCHEMBL20118241 | 0.76 | ALDH1A1 (0.56) | P2RX7ALDH1A1SMN1; SMN2 | |
| SCHEMBL20118219 | 0.74 | P2RX7 (0.53) | P2RX7ALDH1A1SMN1; SMN2 | |
| SCHEMBL11470923 | 0.71 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL11478111 | 0.68 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL11485552 | 0.68 | ALDH1A1 (0.33) | ALDH1A1L3MBTL1 | |
| SCHEMBL2171832 | 0.67 | P2RX7 (0.47) | P2RX7ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL2169850 | 0.67 | P2RX7 (0.47) | P2RX7ALDH1A1SMN1; SMN2L3MBTL1 |
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 |