Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1592876 | 0.81 | TDP1 (0.60) | TDP1CYP2C19CYP2D6HPGDDRD2 | |
| SCHEMBL11679951 | 0.79 | CYP2D6 (0.61) | TDP1CYP2C19CYP2D6HPGDDRD2 | |
| SCHEMBL9808080 | 0.79 | ALDH1A1 (0.62) | TDP1CYP2C19CYP2D6HPGDDRD2 | |
| SCHEMBL11102556 | 0.78 | TDP1 (0.53) | TDP1CYP2C19CYP2D6HPGDDRD2 | |
| SCHEMBL18312558 | 0.75 | ALDH1A1 (0.55) | TDP1CYP2C19CYP2D6HPGDDRD2 | |
| SCHEMBL10491992 | 0.75 | ALDH1A1 (0.55) | TDP1CYP2C19CYP2D6HPGDDRD2 | |
| SCHEMBL3721679 | 0.75 | TDP1 (0.55) | TDP1CYP2C19CYP2D6HPGDDRD2 | |
| SCHEMBL1773059 | 0.74 | TDP1 (0.53) | TDP1CYP2C19CYP2D6HPGDDRD2 | |
| SCHEMBL1071252 | 0.74 | CYP2C19 (0.62) | TDP1CYP2C19CYP2D6HPGDDRD2 | |
| SCHEMBL3528979 | 0.74 | KDM4E (0.68) | TDP1CYP2C19CYP2D6HPGDDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004094378-A1 | PROCESS FOR THE PREPARATION OF CARVEDILOL FORM-II | MATRIX LABORATORIES LTD (IN) | 2004-11-04 | — | — | WO | disclosed |