Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | BAD | Q92934 | 5/20 | 0.40 |
| ▸ | EPHB4 | P54760 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | RGS17 | Q9UGC6 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CDC42 | P60953 | 1/20 | 0.37 |
| ▸ | RAC1 | P63000 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8272613 | 0.88 | ADRA2A (0.37) | NQO2CYP19A1KDM4EALDH1A1MAPT | |
| SCHEMBL13409398 | 0.84 | BAD (0.38) | NQO2CYP19A1BADEPHB4KDM4E | |
| SCHEMBL1536338 | 0.77 | LMNA (0.43) | NQO2BADEPHB4KDM4EALDH1A1 | |
| SCHEMBL8353494 | 0.76 | BAD (0.40) | NQO2CYP19A1BADKDM4EALDH1A1 | |
| SCHEMBL13302264 | 0.75 | BAD (0.40) | NQO2CYP19A1BADKDM4EALDH1A1 | |
| SCHEMBL8272978 | 0.75 | BAD (0.43) | NQO2CYP19A1BADKDM4EALDH1A1 | |
| SCHEMBL7815012 | 0.75 | BAD (0.40) | NQO2CYP19A1BADEPHB4KDM4E | |
| SCHEMBL8271685 | 0.74 | DRD1 (0.39) | — | |
| SCHEMBL7824159 | 0.72 | PDE10A (0.56) | KDM4EALDH1A1MAPTMEN1LMNA | |
| SCHEMBL13409368 | 0.72 | LRRK2 (0.35) | KDM4EALDH1A1HPGDHTTHSD17B10 |
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-2006000085-A1 | HEPATITIS C INHIBITOR PEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-05 | — | — | WO | disclosed |