Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3158860 | 0.95 | ALDH1A1 (0.68) | ALDH1A1SIGMAR1MAPK1CYP3A4CYP2D6 | |
| SCHEMBL21418234 | 0.89 | ALDH1A1 (0.60) | ALDH1A1SIGMAR1MAPK1CYP3A4CYP2D6 | |
| SCHEMBL28777882 | 0.87 | ALDH1A1 (0.66) | ALDH1A1SIGMAR1MAPK1CYP3A4CYP2D6 | |
| SCHEMBL18657226 | 0.85 | ALDH1A1 (0.55) | ALDH1A1SIGMAR1MAPK1CYP3A4CYP2D6 | |
| Carbamic Acid SCHEMBL6249677 | 0.84 | TSHR (0.63) | ALDH1A1SIGMAR1MAPK1CYP2D6KMT2A | |
| SCHEMBL4485401 | 0.84 | SLC6A3 (0.62) | ALDH1A1SIGMAR1KMT2ASMN1; SMN2 | |
| SCHEMBL20184188 | 0.83 | KMT2A (0.68) | ALDH1A1MAPTKMT2ALMNAATM | |
| SCHEMBL577331 | 0.82 | SIGMAR1 (0.86) | SIGMAR1KMT2ALMNA | |
| SCHEMBL576379 | 0.82 | SIGMAR1 (0.86) | SIGMAR1KMT2ALMNA | |
| SCHEMBL1043563 | 0.82 | SIGMAR1 (0.86) | SIGMAR1KMT2ALMNA |
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-2001046202-A1 | POLYAZACYCLOALKANES, ORGANOMETALLIC COMPLEXES THAT INCORPORATE THEM AS LIGANDS AND THE USE OF SAID COMPOUNDS IN THE EXTRACTION OF HEAVY METALS | L'AIR LIQUIDE SOCIETE ANONYME A DIRECTOIRE ET CONSEIL DE SURVEILLANCE POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2001-06-28 | — | — | WO | disclosed |