Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL9170054 | 0.79 | MCL1 (0.58) | MCL1ALDH1A1CYP3A4CA12CA1 | |
| SCHEMBL11386268 | 0.77 | MCL1 (0.56) | MCL1ALDH1A1CYP3A4CA12CA1 | |
| SCHEMBL47354 | 0.76 | — | — | |
| SCHEMBL6217575 | 0.75 | MCL1 (0.74) | MCL1ALDH1A1CYP3A4CA12CA1 | |
| SCHEMBL11345970 | 0.74 | MCL1 (0.57) | MCL1ALDH1A1CYP3A4CA12CA1 | |
| SCHEMBL5154225 | 0.73 | — | — | |
| SCHEMBL21315462 | 0.73 | — | — | |
| Cyanoacetamide SCHEMBL28053682 | 0.72 | — | — | |
| Cyanoacetamide SCHEMBL163613 | 0.72 | — | — | |
| SCHEMBL9202307 | 0.71 | MCL1 (0.52) | MCL1ALDH1A1CYP3A4CA12CA1 |
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-2018069532-A1 | INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE | TES PHARMA S.R.L. (IT) | 2018-04-19 | — | — | WO | disclosed |