Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | GSDMD | P57764 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL30903 | 0.97 | HTT (0.43) | HTTABCB11CYP2E1PTGS1GSDMD | |
| SCHEMBL8517488 | 0.95 | ABCB11 (0.42) | HTTABCB11CYP2E1PTGS1GSDMD | |
| SCHEMBL21594656 | 0.95 | ABCB11 (0.42) | HTTABCB11CYP2E1PTGS1GSDMD | |
| Hydrochloric Acid SCHEMBL11788090 | 0.95 | ABCB11 (0.42) | HTTABCB11CYP2E1PTGS1GSDMD | |
| SCHEMBL2360254 | 0.95 | ABCB11 (0.42) | HTTABCB11CYP2E1PTGS1GSDMD | |
| Hydrogen Sulfide SCHEMBL14994756 | 0.95 | ABCB11 (0.42) | HTTABCB11CYP2E1PTGS1GSDMD | |
| Zinc Ion SCHEMBL16209435 | 0.92 | ABCB11 (0.40) | HTTABCB11CYP2E1PTGS1GSDMD | |
| Hydrogen Sulfide SCHEMBL3261820 | 0.92 | ABCB11 (0.40) | HTTABCB11CYP2E1PTGS1GSDMD | |
| SCHEMBL5979774 | 0.90 | ABCB11 (0.39) | HTTABCB11CYP2E1PTGS1GSDMD | |
| SCHEMBL11821244 | 0.85 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4440867-A | Calcined, high surface area, particulate matter, processes using this matter, and admixtures with other agents | ENSOTECH, INC. (US) | 1984-04-03 | — | — | US | claimed |
| EP-3666757-A1 | PROCESS FOR PREPARING A PIPERIDIN-4-ONE | Karl-Franzens-Universität Graz (AT) | 2020-06-17 | — | — | EP | disclosed |
| WO-1998005206-A1 | QUATERNARY AMMONIUM SALT COMPOSITIONS, AND METHODS FOR TREATING SUBSTRATES | HICKSON INTERNATIONAL PLC (US) | 1998-02-12 | — | — | WO | disclosed |
| US-4960933-A | Boron tris-(dialkyl-dithiocarbamates) and a process for their preparation | C. F. SPIESS & SOHN GMBH & CO. (DE) | 1990-10-02 | — | — | US | disclosed |
| US-4879071-A | Boron tris-(dialkyl-dithiocarbamates) and a process for their preparation | C.F. SPIESS & SOHN GMBH & CO. (DE) | 1989-11-07 | — | — | US | disclosed |