Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1253640 | 0.84 | ALDH1A1 (0.55) | ALDH1A1NPC1MAPK1MEN1KMT2A | |
| SCHEMBL4281294 | 0.81 | POLB (0.51) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A | |
| SCHEMBL6663737 | 0.79 | SLC6A3 (0.46) | ALDH1A1NPC1MAPK1SMN1; SMN2GAA | |
| SCHEMBL27691816 | 0.77 | ALB (0.45) | ALDH1A1SMN1; SMN2GAATAAR1MEN1 | |
| SCHEMBL27754661 | 0.74 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2GAATAAR1MEN1 | |
| SCHEMBL9850063 | 0.71 | CYP1A2 (0.48) | ALDH1A1NPC1MAPK1MEN1KMT2A | |
| SCHEMBL11713863 | 0.70 | ALDH1A1 (0.44) | ALDH1A1NPC1MAPK1MEN1KMT2A | |
| SCHEMBL931348 | 0.70 | SIGMAR1 (0.49) | NPC1MAPK1SMN1; SMN2GAAMEN1 | |
| SCHEMBL2221307 | 0.70 | — | — | |
| SCHEMBL565061 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0411705-A1 | Imidazole compounds and their use as transglutaminase inhibitors | MERCK & CO. INC. (US) | 1991-02-06 | — | — | EP | disclosed |