Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15005226 | 0.76 | MAPT (1.00) | ALDH1A1MAPTGAAHPGDKDM4E | |
| SCHEMBL27769609 | 0.76 | ALDH1A1 (0.66) | ALDH1A1MAPTGAAHPGDKDM4E | |
| SCHEMBL1078509 | 0.76 | TP53 (0.58) | ALDH1A1MAPTGAAHPGDKDM4E | |
| SCHEMBL2681081 | 0.75 | GABRA2 (0.58) | ALDH1A1MAPTGAAHPGDKDM4E | |
| SCHEMBL14249518 | 0.75 | GABRA2 (0.49) | ALDH1A1MAPTGAAHPGDKDM4E | |
| SCHEMBL24556944 | 0.74 | ALDH1A1 (0.62) | ALDH1A1MAPTGAAHPGDKDM4E | |
| SCHEMBL4589168 | 0.74 | SIRT2 (0.65) | ALDH1A1MAPTGAAHPGDKDM4E | |
| SCHEMBL3494358 | 0.74 | ALDH1A1 (0.54) | ALDH1A1MAPTGAATP53ALOX12 | |
| SCHEMBL1753143 | 0.73 | ALDH1A1 (0.56) | ALDH1A1MAPTGAAHPGDKDM4E | |
| SCHEMBL3491977 | 0.73 | ALDH1A1 (0.53) | ALDH1A1MAPTGAAHPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0313724-B1 | Bis (acyloxymethyl) imidazole Derivative | UNIV NEW YORK STATE RES FOUND (US) | 1995-08-09 | — | — | EP | disclosed |
| US-5329012-A | Bactericides, fungicides or antitumor agents | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1994-07-12 | — | — | US | disclosed |
| EP-0313724-A2 | Bis (acyloxymethyl) imidazole Derivative | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1989-05-03 | — | — | EP | disclosed |