Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | PRNP | P04156 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19505242 | 0.79 | CYP1A2 (0.40) | ALDH1A1CYP1A2CYP2A6KMT2ACYP3A4 | |
| SCHEMBL4228622 | 0.78 | ALDH1A1 (0.42) | ALDH1A1BACE1PARP1CYP1A2CYP2A6 | |
| SCHEMBL19673857 | 0.76 | CYP1A2 (0.62) | ALDH1A1BACE1PARP1CYP1A2CYP2A6 | |
| SCHEMBL24809340 | 0.75 | ALDH1A1 (0.42) | ALDH1A1BACE1PARP1CYP1A2CYP2A6 | |
| SCHEMBL30547318 | 0.75 | CYP1A2 (0.68) | ALDH1A1PARP1CYP1A2CYP2A6PRNP | |
| SCHEMBL7836756 | 0.75 | CYP1A2 (0.68) | ALDH1A1PARP1CYP1A2CYP2A6PRNP | |
| SCHEMBL2267818 | 0.75 | — | — | |
| SCHEMBL30714148 | 0.75 | — | — | |
| SCHEMBL1248415 | 0.74 | PARP1 (0.50) | ALDH1A1BACE1PARP1CYP1A2PRNP | |
| SCHEMBL1489217 | 0.74 | PARP1 (0.54) | ALDH1A1BACE1PARP1CYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3753924-A1 | NEW TRICYCLIC 5-HT2 ANTAGONISTS | AnaMar AB (SE) | 2020-12-23 | — | — | EP | disclosed |