Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.40 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 6/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 6/20 | 0.37 |
| ▸ | ATP4A | P20648 | 3/20 | 0.36 |
| ▸ | ATP4B | P51164 | 3/20 | 0.36 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.36 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.36 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.36 |
| ▸ | ATP1B2 | P14415 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3537809 | 0.91 | ATP4A (0.41) | CYP2C9CYP2C19CYP1A2ENPP1ATP4A | |
| SCHEMBL3540790 | 0.91 | NOS2 (0.47) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL16210742 | 0.87 | ATP4A (0.46) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL9527234 | 0.84 | ATP4A (0.42) | CYP2C9CYP1A2ENPP1ATP4AATP4B | |
| SCHEMBL9527455 | 0.83 | CYP2D6 (0.46) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL10370234 | 0.83 | ATP4A (0.38) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL10372859 | 0.83 | ATP4A (0.38) | ATP4AATP4BATP1A1ATP1B1ATP1A3 | |
| SCHEMBL10372856 | 0.82 | CYP2D6 (0.49) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL10370872 | 0.82 | CYP2D6 (0.49) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL6482588 | 0.81 | ATP4A (0.44) | ATP4AATP4BATP1A1ATP1B1ATP1A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104114169-A | Combination of CRTH2 antagonist and a proton pump inhibitor for the treatment of eosinophilic esophagitis | ATOPIX THERAPEUTICS LTD | 2014-10-22 | — | — | CN | disclosed |