Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.50 |
| ▸ | RELA | Q04206 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956863 | 0.87 | DYRK1A (0.54) | CYP1A2CYP2C19CYP3A4PDK1RAB9A | |
| SCHEMBL29953255 | 0.80 | NPC1 (0.41) | CYP1A2CYP2C19CYP3A4PDK1MAPT | |
| SCHEMBL422166 | 0.80 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP3A4PDK1MAPT | |
| Iodomethane SCHEMBL4054071 | 0.77 | CYP1A2 (0.63) | CYP1A2CYP2C19CYP3A4PDK1MAPT | |
| SCHEMBL29951157 | 0.76 | HTT (0.58) | CYP1A2CYP2C19CYP3A4MAPTHTT | |
| SCHEMBL299010 | 0.76 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP3A4PDK1MAPT | |
| SCHEMBL144993 | 0.75 | KMT2A (0.69) | CYP1A2CYP2C19CYP3A4PDK1MAPT | |
| SCHEMBL29683488 | 0.75 | CYP3A4 (1.00) | CYP1A2CYP2C19CYP3A4PDK1MAPT | |
| SCHEMBL483767 | 0.75 | CYP1A2 (0.65) | CYP1A2CYP2C19CYP3A4PDK1MAPT | |
| SCHEMBL7005131 | 0.75 | CYP1A2 (0.65) | CYP1A2CYP2C19CYP3A4PDK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |