Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8765637 | 0.86 | HPGD (0.61) | HPGDKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL885000 | 0.81 | MTNR1A (0.71) | HPGDKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL13434069 | 0.81 | HPGD (0.69) | HPGDKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL2938380 | 0.81 | KMT2A (0.69) | HPGDKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL14667212 | 0.81 | KMT2A (0.65) | HPGDKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL18971048 | 0.80 | APLNR (0.64) | HPGDKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL15338437 | 0.80 | HDAC3 (0.50) | HDAC1 | |
| SCHEMBL1520822 | 0.80 | NPSR1 (0.68) | HPGDKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL10163441 | 0.79 | HPGD (0.65) | HPGDKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL14670856 | 0.79 | HPGD (0.70) | HPGDKMT2AMEN1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2409985-A2 | Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-25 | — | — | EP | disclosed |