Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18391961 | 0.80 | CA1 (0.46) | TDP1CA1CA2CA7CA9 | |
| SCHEMBL1664059 | 0.80 | CA1 (0.46) | TDP1CA1CA2CA7CA9 | |
| SCHEMBL1663117 | 0.80 | CA1 (0.46) | TDP1CA1CA2CA7CA9 | |
| SCHEMBL1663119 | 0.80 | CA1 (0.46) | TDP1CA1CA2CA7CA9 | |
| SCHEMBL2878217 | 0.80 | CA1 (0.46) | TDP1CA1CA2CA7CA9 | |
| SCHEMBL2882825 | 0.79 | TDP1 (0.45) | TDP1CA1CA2CA7CA9 | |
| SCHEMBL2882822 | 0.79 | TDP1 (0.45) | TDP1CA1CA2CA7CA9 | |
| SCHEMBL10508626 | 0.79 | TSHR (0.50) | TDP1CA1CA2CA7CA9 | |
| SCHEMBL24215056 | 0.79 | CA1 (0.45) | TDP1CA1CA2CA7CA9 | |
| SCHEMBL24215419 | 0.79 | CA1 (0.45) | TDP1CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1930145-B | Cycloalkanopyridine derivative | MSD CO LTD | 2011-06-15 | — | — | CN | disclosed |
| CN-1930145-A | Cycloalkanopyridine derivative | BANYU PHARMA CO LTD (JP) | 2007-03-14 | — | — | CN | disclosed |