Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CD38 | P28907 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | BMP1 | P13497 | 1/20 | 0.31 |
| ▸ | PSMB8 | P28062 | 2/20 | 0.31 |
| ▸ | PSMB9 | P28065 | 2/20 | 0.31 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6688712 | 0.84 | ALDH1A1 (0.35) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL4796545 | 0.77 | PSMB8 (0.36) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL6689996 | 0.72 | ALDH1A1 (0.35) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL6690797 | 0.68 | POLB (0.39) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL6693564 | 0.66 | CDK1 (0.37) | — | |
| SCHEMBL5524502 | 0.66 | ALOX5 (0.37) | ALDH1A1 | |
| SCHEMBL6686627 | 0.65 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL6693494 | 0.65 | SLC6A9 (0.37) | NPC1RAB9A | |
| SCHEMBL3023322 | 0.65 | PSMB8 (0.37) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL6688042 | 0.64 | HTR7 (0.39) | NPC1SMN1; SMN2ALDH1A1TDP1 |
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-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |