Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | P2RX7 | Q99572 | 15/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20118165 | 0.86 | ALDH1A1 (0.50) | ALDH1A1P2RX7KDM4EMEN1CYP1A2 | |
| SCHEMBL20118125 | 0.86 | ALDH1A1 (0.51) | ALDH1A1P2RX7KDM4EMEN1CYP1A2 | |
| SCHEMBL20869242 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ARIPK1 | |
| SCHEMBL20118224 | 0.80 | P2RX7 (0.48) | ALDH1A1P2RX7RIPK1 | |
| SCHEMBL1750890 | 0.79 | RIPK1 (0.40) | ALDH1A1RIPK1 | |
| SCHEMBL20118192 | 0.76 | P2RX7 (0.45) | ALDH1A1P2RX7SMN1; SMN2 | |
| SCHEMBL19455021 | 0.75 | CCR3 (0.43) | ALDH1A1MEN1KMT2ARIPK1 | |
| SCHEMBL27810790 | 0.75 | ALDH1A1 (0.48) | ALDH1A1P2RX7KDM4EMEN1CYP1A2 | |
| SCHEMBL20205261 | 0.75 | P2RX7 (0.45) | ALDH1A1P2RX7MEN1KMT2A | |
| SCHEMBL16759677 | 0.73 | ALDH1A1 (0.65) | ALDH1A1P2RX7KDM4EMEN1CYP1A2 |
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 |