Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL7430527 | 0.96 | PDK1 (0.34) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL7429016 | 0.93 | NPC1 (0.35) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL5210074 | 0.84 | RXRB (0.38) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL5210913 | 0.83 | NPC1 (0.39) | NPC1RAB9AHDAC1MAPK14RXRA | |
| SCHEMBL5210889 | 0.83 | NPC1 (0.40) | NPC1RAB9AHDAC1MAPK14RXRA | |
| Trifluoroacetic Acid SCHEMBL4807978 | 0.82 | NPC1 (0.37) | NPC1RAB9AHDAC1MAPK14RXRA | |
| SCHEMBL5216930 | 0.81 | RAB9A (0.37) | ALDH1A1NPC1RAB9AHDAC1MAPK14 | |
| Trifluoroacetic Acid SCHEMBL7433400 | 0.81 | ALDH1A1 (0.37) | ALDH1A1NPC1RAB9AMAPK14RXRA | |
| SCHEMBL7131862 | 0.80 | RXRA (0.36) | ALDH1A1NPC1RAB9AMAPK14RXRA | |
| Hydrochloric Acid SCHEMBL7128388 | 0.79 | RXRA (0.36) | ALDH1A1NPC1RAB9AMAPK14RXRA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1240154-A1 | SERINE PROTEASE INHIBITORS | Tularik Limited (GB) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001044226-A1 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2001-06-21 | — | — | WO | disclosed |