Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL9529315 | 0.84 | EPHX1 (0.50) | ALDH1A1EPHX1SMN1; SMN2EPHX2NPC1 | |
| Acetic Acid Methyl Ester SCHEMBL2425227 | 0.83 | ALDH1A1 (0.48) | ALDH1A1EPHX1NPSR1KDM4E | |
| Acetic Acid SCHEMBL4093239 | 0.81 | EPHX1 (0.48) | ALDH1A1EPHX1SMN1; SMN2EPHX2NPC1 | |
| Acetic Acid SCHEMBL4087167 | 0.81 | EPHX1 (0.48) | ALDH1A1EPHX1SMN1; SMN2EPHX2NPC1 | |
| Acetic Acid SCHEMBL938460 | 0.81 | EPHX1 (0.48) | ALDH1A1EPHX1SMN1; SMN2EPHX2NPC1 | |
| Cyclohexane SCHEMBL2974039 | 0.81 | ALDH1A1 (0.77) | ALDH1A1NPSR1KDM4E | |
| Cyclopentane SCHEMBL868952 | 0.81 | ALDH1A1 (0.77) | ALDH1A1NPSR1KDM4E | |
| Cyclohexanol SCHEMBL3772306 | 0.80 | ALDH1A1 (0.50) | ALDH1A1EPHX1NPSR1SMN1; SMN2EPHX2 | |
| SCHEMBL30901182 | 0.79 | SMN1; SMN2 (0.55) | ALDH1A1EPHX1SMN1; SMN2CYP3A4 | |
| Bicarbonate SCHEMBL4695324 | 0.78 | EPHX1 (0.50) | ALDH1A1EPHX1SMN1; SMN2EPHX2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1202089-C | Process for preparing 2- (1,2, 4-triazol-1-yl) ethanols | BAYER AG (DE) | 2005-05-18 | — | — | CN | disclosed |
| CN-1398259-A | Process for preparing 2- (1,2, 4-triazol-1-yl) ethanols | BAYER AG (DE) | 2003-02-19 | — | — | CN | disclosed |