Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 2/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL9630143 | 0.75 | TLR4 (0.36) | CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9630138 | 0.75 | TLR4 (0.36) | CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9630135 | 0.74 | TLR4 (0.34) | CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9630152 | 0.74 | TLR4 (0.34) | CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL4642924 | 0.73 | CYP2C9 (0.46) | CYP2C9CYP2C19HIF1APPARGALDH1A1 | |
| SCHEMBL4642930 | 0.73 | CYP2C9 (0.46) | CYP2C9CYP2C19HIF1APPARGALDH1A1 | |
| SCHEMBL4861791 | 0.73 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL4861782 | 0.73 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL19328863 | 0.73 | DAO (0.48) | RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4645988 | 0.72 | CYP2C9 (0.45) | CYP2C9CYP2C19HIF1APPARGALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0316715-A2 | Cyclohexane derivatives | Chisso Corporation (JP) | 1989-05-24 | — | — | EP | disclosed |