Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.54 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | IDH1 | O75874 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718775 | 0.80 | TSHR (0.65) | ALDH1A1PTGER4CYP26A1HTTTSHR | |
| SCHEMBL31109086 | 0.78 | NAMPT (0.51) | ALDH1A1POLBHSD17B13TDP1TP53 | |
| SCHEMBL5330598 | 0.76 | CA12 (0.67) | ALDH1A1HTTPOLBGAATDP1 | |
| SCHEMBL25251287 | 0.76 | NAPRT (0.41) | ALDH1A1GAATDP1 | |
| SCHEMBL16353951 | 0.74 | POLB (0.75) | ALDH1A1PTGER4CYP26A1HTTTSHR | |
| SCHEMBL5330736 | 0.74 | ALDH1A1 (0.64) | ALDH1A1POLBGAATDP1 | |
| SCHEMBL16051474 | 0.73 | PKLR (0.58) | ALDH1A1HTTTSHRGAATP53 | |
| SCHEMBL15733078 | 0.71 | DHODH (0.47) | ALDH1A1HSD17B10TDP1TP53 | |
| SCHEMBL13532199 | 0.71 | MAPT (0.90) | ALDH1A1PTGER4HTTPOLBGAA | |
| SCHEMBL26436229 | 0.71 | NPC1 (0.51) | ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |