Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12838317 | 0.86 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL17132068 | 0.86 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL10984524 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL3628675 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL32679491 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL3628680 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL10984526 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5491917 | 0.81 | CYP2C9 (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5491914 | 0.81 | CYP2C9 (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11772018 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050042676-A1 | Characterising polypeptides | ELECTROPHORETICS LIMITED (GB) | 2005-02-24 | — | — | US | disclosed |
| EP-1397505-A2 | CHARACTERISING POLYPEPTIDES | Xzillion GmbH & CO.KG (DE) | 2004-03-17 | — | — | EP | disclosed |
| EP-1267170-A1 | Method for characterising polypeptides | Xzillion GmbH & CO.KG (DE) | 2002-12-18 | — | — | EP | disclosed |
| WO-2002099124-A2 | CHARACTERISING POLYPEPTIDES | XZILLION GMBH & CO. KG (DE) | 2002-12-12 | — | — | WO | disclosed |