Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 7/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.32 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942401 | 0.69 | BACE1 (0.34) | BACE1BACE2GAAALDH1A1 | |
| SCHEMBL9340455 | 0.69 | NR3C1 (0.44) | HTR2AMEN1KMT2ANPC1RAB9A | |
| SCHEMBL6942499 | 0.69 | BACE1 (0.34) | BACE1BACE2ALDH1A1 | |
| SCHEMBL9341483 | 0.68 | MEN1 (0.45) | HTR2AMEN1KMT2ANPC1RAB9A | |
| SCHEMBL7799833 | 0.68 | HCAR3 (0.36) | HTR2ABACE1BACE2HTR2C | |
| SCHEMBL20030227 | 0.68 | ACLY (0.31) | BACE1BACE2ALDH1A1 | |
| SCHEMBL9340452 | 0.68 | NR3C1 (0.42) | HTR2AMEN1KMT2ANPC1RAB9A | |
| SCHEMBL7808783 | 0.67 | BACE1 (0.39) | BACE1BACE2 | |
| SCHEMBL7805235 | 0.66 | BACE1 (0.32) | BACE1BACE2 | |
| SCHEMBL7803860 | 0.65 | BACE1 (0.36) | BACE1BACE2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5312815-A | Fungicidal (+)-2-(2,4-difluorophenyl)-3-methyl-1-(1H-1,2,4-triazol-1-yl)3-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-ylthio) butan-2-ol | ROUSSEL MORISHITA CO., LTD. (JP) | 1994-05-17 | — | — | US | disclosed |
| EP-0552974-A1 | A 1-aryl-2-(1H-1,2-4-triazol-1-yl) ethanol derivative and antifungal compositions containing that derivative | ROUSSEL MORISHITA Co., Ltd. (JP) | 1993-07-28 | — | — | EP | disclosed |