Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.62 |
| ▸ | HTR2B | P41595 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.62 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770284 | 0.85 | KMT2A (0.55) | CYP3A4LMNAMEN1KMT2ANR1I2 | |
| SCHEMBL6990857 | 0.85 | KMT2A (0.55) | CYP3A4LMNAMEN1KMT2ANR1I2 | |
| SCHEMBL9770258 | 0.85 | KMT2A (0.55) | CYP3A4LMNAMEN1KMT2ANR1I2 | |
| SCHEMBL29204962 | 0.79 | PTGS2 (0.42) | CYP3A4LMNAMEN1KMT2ANR1I2 | |
| Pentalamide SCHEMBL1262590 | 0.78 | LMNA (0.97) | CYP3A4LMNAMEN1KMT2ANR1I2 | |
| Pentalamide SCHEMBL30575479 | 0.78 | LMNA (0.97) | CYP3A4LMNAMEN1KMT2ANR1I2 | |
| Exalamide SCHEMBL151112 | 0.77 | LMNA (1.00) | CYP3A4LMNAMEN1KMT2ANR1I2 | |
| SCHEMBL5147507 | 0.77 | LMNA (1.00) | CYP3A4LMNAMEN1KMT2ANR1I2 | |
| SCHEMBL873025 | 0.77 | LMNA (1.00) | CYP3A4LMNAMEN1KMT2ANR1I2 | |
| SCHEMBL4656110 | 0.77 | LMNA (1.00) | CYP3A4LMNAMEN1KMT2ANR1I2 |
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-2015054337-A1 | HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO | EMORY UNIVERSITY (US) | 2015-04-16 | — | — | WO | disclosed |