Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974028 | 0.83 | HSD17B10 (0.37) | NOS1NOS3NOS2ALDH1A1MAPT | |
| SCHEMBL4460823 | 0.71 | AHR (0.38) | ALDH1A1MAPTKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL7976274 | 0.69 | LMNA (0.40) | NOS1NOS3NOS2ALDH1A1MAPT | |
| SCHEMBL2056670 | 0.69 | CYP1A2 (0.33) | MAPTKDM4ESMN1; SMN2TP53HSD17B10 | |
| SCHEMBL11028225 | 0.65 | CYP3A4 (0.37) | ALDH1A1MAOBKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL11025889 | 0.65 | CYP3A4 (0.37) | ALDH1A1MAOBKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL11026596 | 0.64 | CYP2A6 (0.43) | NOS1NOS3NOS2ALDH1A1MAPT | |
| SCHEMBL13824711 | 0.64 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CYP1A2CYP2A6 | |
| SCHEMBL209082 | 0.64 | ALDH1A1 (0.34) | NOS1NOS3NOS2ALDH1A1MAOB | |
| SCHEMBL11826319 | 0.64 | CYP2A6 (0.44) | ALDH1A1MAPTKDM4EHPGDHSD17B10 |
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 |