Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564391 | 1.00 | ALDH1A1 (0.44) | ALDH1A1GAANPC1RAB9ATP53 | |
| SCHEMBL9564389 | 0.77 | MAPT (0.49) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9564392 | 0.77 | MAPT (0.49) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11683297 | 0.73 | ALDH1A1 (0.68) | ALDH1A1GAANPC1RAB9ATP53 | |
| SCHEMBL9564370 | 0.71 | GAA (0.48) | ALDH1A1GAANPC1RAB9ATP53 | |
| SCHEMBL9564371 | 0.71 | GAA (0.50) | ALDH1A1GAATP53SMN1; SMN2MAPT | |
| SCHEMBL10874394 | 0.71 | MAPT (0.48) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9564366 | 0.71 | GAA (0.50) | ALDH1A1GAATP53SMN1; SMN2MAPT | |
| SCHEMBL9564417 | 0.70 | KDM4E (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL14305288 | 0.70 | MAPT (0.56) | ALDH1A1GAANPC1RAB9ATP53 |
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-0563686-A1 | Utilization of 3 substituted amino isoxazole derivatives against endoparasites, new 3 substituted amino isoxazols and process for their preparation | BAYER AG (DE) | 1993-10-06 | — | — | EP | disclosed |