Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 8/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PSMB8 | P28062 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7976274 | 0.86 | LMNA (0.40) | AHRMCL1KDM4EALDH1A1LMNA | |
| SCHEMBL7974028 | 0.71 | HSD17B10 (0.37) | KDM4EALDH1A1LMNAHPGDNFKB1 | |
| SCHEMBL167920 | 0.64 | — | — | |
| SCHEMBL8155015 | 0.64 | CA12 (0.50) | AHRMCL1KDM4EALDH1A1LMNA | |
| SCHEMBL12329693 | 0.63 | ALDH1A1 (0.64) | MCL1KDM4EALDH1A1LMNAHPGD | |
| SCHEMBL22737968 | 0.62 | AHR (0.78) | AHRMCL1KDM4EALDH1A1LMNA | |
| Bromide SCHEMBL27681143 | 0.62 | TP53 (0.52) | ALDH1A1TP53CYP3A4 | |
| Fluoride SCHEMBL9348251 | 0.62 | TP53 (0.52) | ALDH1A1TP53CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL10704776 | 0.62 | TP53 (0.52) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL2057188 | 0.62 | AHR (0.33) | AHR |
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 |