Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.40 |
| ▸ | GABRP | O00591 | 2/20 | 0.40 |
| ▸ | GABRD | O14764 | 2/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.40 |
| ▸ | GABRE | P78334 | 2/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8545522 | 0.96 | ALDH1A1 (0.42) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8547017 | 0.95 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8545195 | 0.91 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8538896 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8541674 | 0.85 | SLC6A4 (0.36) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8543816 | 0.85 | EDNRB (0.42) | — | |
| SCHEMBL8541997 | 0.85 | EDNRB (0.44) | ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL8540186 | 0.85 | GPR17 (0.40) | MDM2 | |
| SCHEMBL8543925 | 0.85 | PDE5A (0.41) | HPGD | |
| SCHEMBL8546149 | 0.85 | RXRA (0.41) | MAPTKDM4EDUSP3PTPN5CASP6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0800389-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0800389-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996018393-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-06-20 | — | — | WO | disclosed |