Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HTR1A | P08908 | 4/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14009881 | 0.82 | HTR1A (0.39) | ALDH1A1HTR1ADRD2HTR2CHTR7 | |
| SCHEMBL5539673 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CES1HPGDHTTMEN1 | |
| SCHEMBL5010489 | 0.78 | KMT2A (0.48) | ALDH1A1HTR1ADRD2HTR2CHTR7 | |
| SCHEMBL8088243 | 0.72 | CHRM2 (0.46) | ALDH1A1HTR1ADRD2HTR2CHTR7 | |
| SCHEMBL10383825 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CES1MAPTPOLBKDM4E | |
| SCHEMBL8283747 | 0.70 | HTR1A (0.42) | ALDH1A1HTR1ADRD2HTR2CHTR7 | |
| SCHEMBL5005449 | 0.68 | HTR1A (0.41) | ALDH1A1HTR1ADRD2HTR2CHTR7 | |
| SCHEMBL24214230 | 0.68 | ALDH1A1 (0.43) | ALDH1A1CES1HPGDMEN1KMT2A | |
| SCHEMBL9119061 | 0.68 | HTR1A (0.53) | HTR1ADRD2HTR2CHTR7HRH1 | |
| SCHEMBL12607989 | 0.68 | MMP2 (0.32) | HTR1ADRD2HTR2CHTR7HRH1 |
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-2005021584-A2 | NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-03-10 | — | — | WO | disclosed |