Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | FBP1 | P09467 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974023 | 0.83 | NOS1 (0.40) | HSD17B10NOS1PSMB8KEAP1NOS3 | |
| SCHEMBL4460823 | 0.71 | AHR (0.38) | HSD17B10PSMB8KDM4EMAPTALDH1A1 | |
| SCHEMBL7976280 | 0.71 | AHR (0.39) | PSMB8KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL25720298 | 0.67 | AHR (0.62) | HSD17B10KDM4EMAPTALDH1A1HPGD | |
| SCHEMBL24727144 | 0.66 | TTR (0.47) | HSD17B10MAPTALDH1A1HPGDMAOB | |
| SCHEMBL9813983 | 0.65 | PSMB8 (0.38) | PSMB8ALDH1A1HPGDLMNASMN1; SMN2 | |
| SCHEMBL11025889 | 0.65 | CYP3A4 (0.37) | KDM4EALDH1A1HPGDLMNASMN1; SMN2 | |
| SCHEMBL11028225 | 0.65 | CYP3A4 (0.37) | KDM4EALDH1A1HPGDLMNASMN1; SMN2 | |
| SCHEMBL144391 | 0.64 | — | — | |
| SCHEMBL11026596 | 0.64 | CYP2A6 (0.43) | HSD17B10NOS1NOS3NOS2KDM4E |
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 |