Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2987446 | 0.88 | ALDH1A1 (0.38) | ALDH1A1KDM4EKMT2AMEN1GAA | |
| SCHEMBL7566192 | 0.79 | ALDH1A1 (0.39) | ALDH1A1KDM4EKMT2AMEN1GAA | |
| SCHEMBL7618980 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4EKMT2AMEN1GAA | |
| 1,4-Butanediol SCHEMBL7566107 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4EKMT2AMEN1GAA | |
| SCHEMBL12503551 | 0.73 | MEN1 (0.37) | ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL29123849 | 0.73 | ALDH1A1 (0.47) | ALDH1A1KDM4EKMT2AMEN1GAA | |
| SCHEMBL15050014 | 0.73 | ALDH1A1 (0.33) | ALDH1A1KDM4EKMT2AGAALMNA | |
| SCHEMBL28156882 | 0.72 | MEN1 (0.36) | ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL28169244 | 0.72 | MEN1 (0.36) | ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL20504314 | 0.71 | ALDH1A1 (0.38) | ALDH1A1KDM4EKMT2AMEN1GAA |
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-2002083938-A2 | SCREENING METHODS FOR IDENTIFYING LIGANDS | EMERALD BIOSTRUCTURES, INC. (US) | 2002-10-24 | — | — | WO | disclosed |