Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 13/20 | 0.43 |
| ▸ | CA2 | P00918 | 13/20 | 0.43 |
| ▸ | CA9 | Q16790 | 13/20 | 0.43 |
| ▸ | CA1 | P00915 | 12/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 11/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | AOC1 | P19801 | 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 | |
|---|---|---|---|---|
| SCHEMBL13177253 | 0.85 | KDM4E (0.43) | CA12CA2CA9CA1CA14 | |
| SCHEMBL4808842 | 0.79 | CA12 (0.44) | CA12CA2CA9CA1CA14 | |
| SCHEMBL394384 | 0.76 | CA12 (0.60) | CA12CA2CA9CA1CA14 | |
| SCHEMBL13376170 | 0.76 | CA12 (0.38) | CA12CA2CA9CA1CA14 | |
| SCHEMBL5700438 | 0.75 | CA12 (0.46) | CA12CA2CA9CA1CA14 | |
| SCHEMBL3783321 | 0.74 | CA12 (0.43) | CA12CA2CA9CA1CA14 | |
| SCHEMBL1377189 | 0.72 | GAA (0.58) | CA12CA2CA9CA1CA14 | |
| SCHEMBL6618815 | 0.70 | CA12 (0.47) | CA12CA2CA9CA1CA14 | |
| SCHEMBL25838457 | 0.70 | ALDH1A1 (0.43) | CA12CA2CA9CA1CA14 | |
| SCHEMBL9558890 | 0.68 | ALDH1A1 (0.46) | CA12CA2CA9CA1CA14 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006074924-A1 | 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES | NOVARTIS AG (CH) | 2006-07-20 | — | — | WO | disclosed |