Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 4/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7822926 | 0.79 | CYP2A6 (0.52) | CYP1A2CYP2A6ANPEPHTR7KMT2A | |
| SCHEMBL28464282 | 0.76 | PDK2 (0.43) | HPGDGAATLR9KMT2A | |
| SCHEMBL677618 | 0.74 | BRD4 (0.50) | CYP1A2CYP2A6RXFP1RNASEH1HPGD | |
| SCHEMBL7898985 | 0.74 | RNASEH1 (0.50) | CYP1A2CYP2A6RXFP1RNASEH1HPGD | |
| SCHEMBL13507876 | 0.71 | CYP1A2 (0.43) | CYP1A2CYP2A6RXFP1RNASEH1HPGD | |
| SCHEMBL28844401 | 0.71 | NPC1 (0.56) | CYP1A2CYP2A6RXFP1HPGDGAA | |
| SCHEMBL23430068 | 0.70 | CYP1A2 (0.52) | CYP1A2CYP2A6ANPEPRXFP1RNASEH1 | |
| SCHEMBL13239543 | 0.70 | CYP1A2 (0.52) | CYP1A2CYP2A6RNASEH1HPGDNOTUM | |
| SCHEMBL1462133 | 0.70 | HPGD (0.55) | CYP1A2CYP2A6RNASEH1HPGDNOTUM | |
| SCHEMBL31019490 | 0.70 | KMT2A (0.63) | RNASEH1GAAPKMTLR9KMT2A |
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-2065382-A1 | CGRP antagonists | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |