Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | LIPE | Q05469 | 4/20 | 0.38 |
| ▸ | PANK3 | Q9H999 | 2/20 | 0.32 |
| ▸ | ME2 | P23368 | 1/20 | 0.31 |
| ▸ | ME1 | P48163 | 1/20 | 0.31 |
| ▸ | ME3 | Q16798 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 3/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30330141 | 0.69 | ADRB1 (0.52) | USP2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL17608949 | 0.67 | TSHR (0.52) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C19 | |
| SCHEMBL11371 | 0.65 | KCNH2 (0.34) | LIPEUSP2CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL5578 | 0.65 | LIPE (0.34) | LIPEUSP2ALDH1A1CYP3A4TSHR | |
| SCHEMBL746750 | 0.64 | CYP3A4 (0.44) | LIPEUSP2CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL16862199 | 0.64 | TSHR (0.58) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C19 | |
| SCHEMBL19320638 | 0.63 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17611694 | 0.63 | OPRM1 (0.43) | SLC6A2SLC6A4SLC6A3USP2CYP2D6 | |
| SCHEMBL19341570 | 0.62 | USP2 (0.52) | USP2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL1946683 | 0.62 | LIPE (0.47) | LIPE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593454-A1 | NEW AZACYCLIC COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007367-A1 | NEW AZACYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |