Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7386654 | 0.68 | PSMB8 (0.33) | — | |
| SCHEMBL7976226 | 0.64 | ALDH1A1 (0.32) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL4852140 | 0.62 | AHR (0.32) | — | |
| SCHEMBL16727215 | 0.61 | AHR (0.37) | ALDH1A1SMN1; SMN2CYP3A4TSHRRECQL | |
| SCHEMBL22434753 | 0.57 | HSD11B1 (0.36) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL2752728 | 0.57 | SMN1; SMN2 (0.44) | SMN1; SMN2TSHR | |
| SCHEMBL13106312 | 0.55 | ADORA2A (0.44) | SMN1; SMN2CYP3A4 | |
| SCHEMBL2937097 | 0.54 | TSHR (0.67) | ALDH1A1SMN1; SMN2CYP3A4TSHRRECQL | |
| SCHEMBL21092973 | 0.54 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2CYP3A4TSHRRECQL | |
| SCHEMBL98117 | 0.54 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2CYP3A4TSHRRECQL |
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 |