Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | CCKAR | P32238 | 1/20 | 0.41 |
| ▸ | CCKBR | P32239 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.38 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28008068 | 0.67 | ESR1 (0.69) | RARBALDH1A1MEN1RARAMAPT | |
| Bicarbonate SCHEMBL27623722 | 0.67 | RARB (0.72) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL11374851 | 0.66 | KCNH2 (0.65) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL1203500 | 0.66 | HSD11B1 (0.69) | RARBALDH1A1MEN1RARAMAPT | |
| Hydrogen Peroxide SCHEMBL15515419 | 0.66 | KCNH2 (0.69) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL7184667 | 0.66 | KCNH2 (0.69) | ALDH1A1HSD11B1ESR1ADRA2AADORA3 | |
| Benzene SCHEMBL28151391 | 0.66 | KCNH2 (0.68) | ALDH1A1HSD11B1ESR1ADRA2AADORA3 | |
| SCHEMBL35869 | 0.66 | KCNH2 (0.68) | ALDH1A1HSD11B1ESR1ADRA2AADORA3 | |
| Benzene SCHEMBL28454829 | 0.66 | KCNH2 (0.68) | ALDH1A1HSD11B1ESR1ADRA2AADORA3 | |
| Bicarbonate SCHEMBL3086181 | 0.65 | ALDH1A1 (0.63) | RARBALDH1A1MEN1RARAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002085369-A1 | INHIBITORS OF ANTHRAX LETHAL FACTOR ACTIVITY | STRUCTURAL BIOINFORMATICS, INC. (US) | 2002-10-31 | — | — | WO | disclosed |