Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8230281 | 0.72 | MCL1 (0.45) | CA1CA2MCL1PIK3C3 | |
| SCHEMBL1473418 | 0.70 | TRPM5 (0.50) | TSHRCA1CA2POLBMEN1 | |
| SCHEMBL24051973 | 0.70 | MCL1 (0.46) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL5330598 | 0.70 | CA12 (0.67) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL5332392 | 0.70 | TSHR (0.52) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL5329438 | 0.69 | ALDH1A1 (0.50) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL25072770 | 0.69 | CA12 (0.49) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL118340 | 0.68 | KEAP1 (0.59) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL24051971 | 0.67 | MCL1 (0.44) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL893905 | 0.67 | CA12 (0.73) | ALDH1A1TSHRCA12CA1CA2 |
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 |