Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.32 |
| ▸ | GAPDH | P04406 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27639546 | 0.92 | TSHR (0.38) | TSHRCYP3A4ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL3038192 | 0.88 | CYP3A4 (0.38) | TSHRCYP3A4ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL27617210 | 0.86 | LMNA (0.38) | TSHRCYP3A4ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL27740335 | 0.85 | LMNA (0.41) | TSHRTRPA1DDAH1GAPDHMAPT | |
| SCHEMBL27623865 | 0.84 | LMNA (0.39) | TSHRCYP3A4ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL3039700 | 0.83 | CA12 (0.34) | CA2CA12CA1CA7CA14 | |
| SCHEMBL3040110 | 0.82 | CYP3A4 (0.41) | TSHRCYP3A4ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL3024990 | 0.82 | TSHR (0.39) | TSHRCYP3A4ALDH1A1SMN1; SMN2CTSK | |
| SCHEMBL23581461 | 0.81 | CYP3A4 (0.37) | TSHRCYP3A4ALDH1A1SMN1; SMN2L3MBTL1 | |
| Butyl Formate SCHEMBL28320458 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101880277-A | Aza spiro alkane derivatives as inhibitors of metalloproteinase | INCYTE CORP | 2010-11-10 | — | — | CN | claimed |
| CN-1863532-A | Azaspiroalkane derivatives as metalloproteinase inhibitors | INCYTE COPORATION (US) | 2006-11-15 | — | — | CN | claimed |
| CN-101880277-A | Aza spiro alkane derivatives as inhibitors of metalloproteinase | INCYTE CORP | 2010-11-10 | — | — | CN | disclosed |
| CN-1863532-A | Azaspiroalkane derivatives as metalloproteinase inhibitors | INCYTE COPORATION (US) | 2006-11-15 | — | — | CN | disclosed |