Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2595635 | 0.86 | NPC1 (0.54) | NPC1RAB9APARP1LMNAMAPT | |
| SCHEMBL13413905 | 0.84 | NPC1 (0.78) | NPC1RAB9ALMNAKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL9994949 | 0.84 | NPC1 (0.52) | NPC1RAB9APARP1LMNAKDM4E | |
| SCHEMBL2111216 | 0.83 | NPC1 (0.58) | NPC1RAB9APARP1LMNATLR9 | |
| SCHEMBL19824770 | 0.82 | NPC1 (0.65) | NPC1RAB9ALMNAKDM4EMAPT | |
| SCHEMBL3126376 | 0.81 | NPC1 (0.57) | NPC1RAB9ALMNAKDM4EMAPT | |
| SCHEMBL3240724 | 0.81 | NPC1 (0.57) | NPC1RAB9ALMNAKDM4EMAPT | |
| SCHEMBL740104 | 0.80 | PARP1 (0.56) | NPC1RAB9APARP1 | |
| SCHEMBL30418325 | 0.80 | PARP1 (0.56) | NPC1RAB9APARP1 | |
| SCHEMBL740103 | 0.80 | PARP1 (0.56) | NPC1RAB9APARP1 |
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-2024059951-A1 | INHIBITORS OF THE ANDROGEN RECEPTOR DNA-BINDING DOMAIN | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2024-03-28 | — | — | WO | disclosed |