Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7579260 | 0.82 | PARP15 (0.38) | ERN1ALDH1A1 | |
| SCHEMBL3556379 | 0.77 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL9007960 | 0.75 | ACHE (0.36) | ACHEALDH1A1 | |
| SCHEMBL7976178 | 0.74 | SMN1; SMN2 (0.31) | SMN1; SMN2 | |
| SCHEMBL7575561 | 0.68 | NQO2 (0.39) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL4809319 | 0.64 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7976451 | 0.64 | ACHE (0.41) | ACHEERN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1832902 | 0.62 | MAPT (0.38) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL2611542 | 0.61 | ACHE (0.65) | ACHEERN1ALDH1A1SMN1; SMN2CNR2 | |
| SCHEMBL2440600 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |