Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | WHR1 | P49842 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | VDR | P11473 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL21217733 | 0.94 | MEN1 (0.38) | MEN1KMT2AATMWHR1CYP1A2 | |
| SCHEMBL21217578 | 0.94 | MEN1 (0.38) | MEN1KMT2AATMWHR1CYP1A2 | |
| SCHEMBL23231688 | 0.94 | MEN1 (0.37) | MEN1KMT2AATMWHR1CYP1A2 | |
| SCHEMBL21217598 | 0.92 | MEN1 (0.36) | MEN1KMT2AATMWHR1 | |
| SCHEMBL23231870 | 0.92 | MEN1 (0.36) | MEN1KMT2AATMWHR1 | |
| SCHEMBL23231972 | 0.91 | MEN1 (0.36) | MEN1KMT2AATMWHR1 | |
| SCHEMBL23077217 | 0.89 | MEN1 (0.37) | MEN1KMT2AATMWHR1 | |
| SCHEMBL21217380 | 0.89 | ALDH1A1 (0.32) | MEN1KMT2AATMCYP1A2CYP3A4 | |
| SCHEMBL21217634 | 0.87 | — | — | |
| SCHEMBL23231831 | 0.87 | MEN1 (0.35) | MEN1KMT2AATMWHR1ABCB1 |
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-2021043755-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-03-11 | — | — | WO | disclosed |