Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | HLCS | P50747 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6060709 | 0.98 | ALDH1A1 (0.41) | ALDH1A1EPHX1CYP1A2S1PR3HLCS | |
| SCHEMBL9626029 | 0.98 | ALDH1A1 (0.41) | ALDH1A1EPHX1CYP1A2S1PR3HLCS | |
| SCHEMBL4231884 | 0.98 | ALDH1A1 (0.41) | ALDH1A1EPHX1CYP1A2S1PR3HLCS | |
| SCHEMBL2323127 | 0.98 | ALDH1A1 (0.41) | ALDH1A1EPHX1CYP1A2S1PR3HLCS | |
| SCHEMBL8058085 | 0.95 | ALDH1A1 (0.38) | ALDH1A1EPHX1CYP1A2S1PR3HLCS | |
| SCHEMBL17672276 | 0.93 | CYP1A2 (0.38) | ALDH1A1EPHX1CYP1A2S1PR3HLCS | |
| SCHEMBL9677995 | 0.93 | CYP1A2 (0.41) | ALDH1A1CYP1A2 | |
| SCHEMBL6679831 | 0.90 | ALDH1A1 (0.41) | ALDH1A1EPHX1CYP1A2S1PR3HLCS | |
| SCHEMBL5055249 | 0.88 | ALDH1A1 (0.44) | ALDH1A1EPHX1CYP1A2S1PR3HLCS | |
| SCHEMBL28827280 | 0.88 | ALDH1A1 (0.44) | ALDH1A1EPHX1CYP1A2S1PR3HLCS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023215532-A1 | SYNTHESIS METHODS OF ACYL CHAIN OF QS-21 AND DERIVATIVE THEREOF | OBI PHARMA, INC. (TW) | 2023-11-09 | — | — | WO | disclosed |
| EP-1004623-A1 | Aryl thioacetals useful as stabilizers in polymeric materials | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999003838-A1 | 2-(1,2,3,4-TETRAHYDROXYBUTYL)PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1999-01-28 | — | — | WO | disclosed |