Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.37 |
| ▸ | OXER1 | Q8TDS5 | 5/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18979838 | 0.80 | CA1 (0.42) | CYP2D6TBXAS1TLR7LIPGGPR84 | |
| SCHEMBL18979865 | 0.78 | HDAC1 (0.42) | CYP2D6TBXAS1OXER1SLC6A3ALDH1A1 | |
| SCHEMBL82798 | 0.78 | CYP2D6 (0.43) | CYP2D6TBXAS1TLR7KDM4EALDH1A1 | |
| SCHEMBL27813575 | 0.78 | CYP2D6 (0.47) | CYP2D6TBXAS1TLR7LIPGGPR84 | |
| SCHEMBL18766379 | 0.78 | CYP2D6 (0.47) | CYP2D6TBXAS1TLR7LIPGGPR84 | |
| SCHEMBL18840270 | 0.76 | CYP2D6 (0.46) | CYP2D6TBXAS1TLR7GPR84KDM4E | |
| SCHEMBL28366086 | 0.75 | CYP2D6 (0.44) | CYP2D6TBXAS1TLR7LIPGGPR84 | |
| SCHEMBL28124367 | 0.73 | CYP2D6 (0.39) | CYP2D6TBXAS1OXER1TLR7KDM4E | |
| Hydrochloric Acid SCHEMBL30212798 | 0.73 | TLR8 (0.42) | CYP2D6TBXAS1KDM4EALDH1A1LMNA | |
| SCHEMBL12275124 | 0.72 | CYP2D6 (0.40) | CYP2D6TBXAS1TLR7GPR84ALDH1A1 |
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-20170176470-A1 | DETECTION OF CARBOXYALKYLPYRROLE OR PENTYLPYRROLE ETHANOLAMINE PHOSPHOLIPIDS | UNIV CASE WESTERN RESERVE (US) | 2017-06-22 | — | — | US | disclosed |