Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA4 | P22748 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL5039623 | 0.92 | ALDH1A1 (0.39) | ALDH1A1TP53CA12CA1CA2 | |
| SCHEMBL400376 | 0.86 | ALDH1A1 (0.40) | ALDH1A1TP53CA12CA1CA2 | |
| SCHEMBL401034 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TP53CA12CA1CA2 | |
| SCHEMBL22958440 | 0.76 | DGKA (0.41) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL14696961 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TP53TSHR | |
| SCHEMBL396155 | 0.75 | CA12 (0.41) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL457635 | 0.74 | LMNA (0.44) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL2014045 | 0.74 | CA12 (0.41) | ALDH1A1CA12CA1CA2CA4 | |
| Silver SCHEMBL2239077 | 0.72 | CA1 (0.38) | ALDH1A1CA12CA1CA2CA4 | |
| Methane SCHEMBL2013629 | 0.72 | LMNA (0.43) | ALDH1A1CA12CA1CA2CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1727787-A2 | NEW PROCESS FOR THE PREPARATION OF NITROOXYDERIVATIVES OF PARACETAMOL | NicOx S.A. (FR) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005054175-A2 | NEW PROCESS FOR THE PREPARATION OF NITROOXYDERIVATIVES OF PARACETAMOL | NICOX S.A. (FR) | 2005-06-16 | — | — | WO | disclosed |