Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4440349 | 0.81 | TSHR (0.46) | TSHRSRCALDH1A1DPP4F2 | |
| SCHEMBL3852183 | 0.80 | TSHR (0.50) | TSHRSRCALDH1A1HSD17B10TDP1 | |
| SCHEMBL1095271 | 0.78 | TSHR (0.48) | TSHRSRCALDH1A1HSD17B10TDP1 | |
| SCHEMBL4589500 | 0.76 | SRC (0.54) | TSHRSRCALDH1A1TDP1CYP2C19 | |
| SCHEMBL5200608 | 0.76 | TSHR (0.46) | TSHRSRCALDH1A1HSD17B10TDP1 | |
| SCHEMBL11792813 | 0.73 | TSHR (0.48) | TSHRSRCALDH1A1HSD17B10TDP1 | |
| SCHEMBL5555043 | 0.71 | SRC (0.39) | TSHRSRCALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL16399485 | 0.71 | LMNA (0.41) | SRCALDH1A1TDP1CYP2C19CYP2D6 | |
| SCHEMBL9449886 | 0.70 | TSHR (0.74) | TSHRSRCALDH1A1HSD17B10TDP1 | |
| SCHEMBL11574577 | 0.70 | CA1 (0.47) | TSHRSRCALDH1A1HSD17B10CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817275-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering Aktiengesellschaft (DE) | 2007-08-15 | — | — | EP | claimed |
| WO-2006060494-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-06-08 | — | — | WO | claimed |
| CN-1512880-A | Novel compounds and compositions as cathepsin inhibitors | AXYSҩ�﹫˾ | 2004-07-14 | — | — | CN | claimed |
| CN-1512880-A | Novel compounds and compositions as cathepsin inhibitors | AXYSҩ�﹫˾ | 2004-07-14 | — | — | CN | disclosed |