Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3656311 | 0.76 | SMN1; SMN2 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27495164 | 0.76 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27734453 | 0.75 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27495397 | 0.75 | BLM (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27915722 | 0.75 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL28272596 | 0.75 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27586112 | 0.75 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL2491151 | 0.73 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL3829288 | 0.73 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27495398 | 0.73 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116888101-A | Substituted isoxazoline derivatives | 巴斯夫欧洲公司 | 2023-10-13 | — | — | CN | disclosed |