Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6055371 | 0.85 | PPARG (0.61) | CYP3A4TSHRNFKB1BLMPMP22 | |
| SCHEMBL2065519 | 0.85 | NFKB1 (0.64) | CYP3A4TSHRNFKB1BLMPMP22 | |
| SCHEMBL27898486 | 0.85 | NFKB1 (0.64) | CYP3A4TSHRNFKB1BLMPMP22 | |
| SCHEMBL7146924 | 0.85 | NFKB1 (0.64) | CYP3A4TSHRNFKB1BLMPMP22 | |
| Hydrochloric Acid SCHEMBL6760975 | 0.83 | BLM (0.65) | CYP3A4TSHRNFKB1BLMPMP22 | |
| Hydrochloric Acid SCHEMBL2065125 | 0.83 | BLM (0.65) | CYP3A4TSHRNFKB1BLMPMP22 | |
| SCHEMBL23782438 | 0.83 | TAS1R3 (0.48) | CYP3A4TSHRNFKB1BLMPMP22 | |
| SCHEMBL10990196 | 0.83 | CYP3A4 (0.44) | CYP3A4TSHRNFKB1BLMPMP22 | |
| SCHEMBL12646342 | 0.82 | MEN1 (0.46) | MEN1LMNAMAPTKMT2APPARG | |
| SCHEMBL10193679 | 0.82 | SLC22A3 (0.48) | CYP3A4TSHRNFKB1BLMPMP22 |
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-3906969-A1 | ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF | East China University of Science and Technology (CN) | 2021-11-10 | — | — | EP | disclosed |