Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8487533 | 0.78 | POLB (0.48) | CTSSKDM4EALDH1A1POLBHSD17B10 | |
| SCHEMBL9171597 | 0.75 | PYGL (0.41) | KDM4EALDH1A1DPP4EPHX2SMN1; SMN2 | |
| SCHEMBL20310044 | 0.74 | GAA (0.33) | CTSSKDM4EALDH1A1GAAEPHX2 | |
| SCHEMBL10442216 | 0.73 | SMN1; SMN2 (0.41) | KDM4EALDH1A1SMN1; SMN2CNR1CNR2 | |
| SCHEMBL10445869 | 0.73 | SMN1; SMN2 (0.41) | KDM4EALDH1A1SMN1; SMN2CNR1CNR2 | |
| SCHEMBL20333106 | 0.72 | DPP4 (0.42) | HTTKDM4EALDH1A1DPP4EPHX2 | |
| SCHEMBL1410996 | 0.72 | DPP4 (0.46) | HTTKDM4EALDH1A1DPP4GAA | |
| SCHEMBL1411011 | 0.72 | DPP4 (0.46) | HTTKDM4EALDH1A1DPP4GAA | |
| SCHEMBL19884150 | 0.72 | SMN1; SMN2 (0.49) | HTTCTSSPKMSMN1; SMN2CNR2 | |
| SCHEMBL21896780 | 0.72 | PKM (0.45) | HTTCTSSPKMSMN1; SMN2CNR2 |
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-2008057209-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-15 | — | — | WO | disclosed |