Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL257679 | 0.86 | HCAR2 (0.39) | ALDH1A1LMNATSHRKDM4E | |
| SCHEMBL15100966 | 0.81 | HPGD (0.47) | ALDH1A1LMNATSHRCA12CA1 | |
| SCHEMBL18433983 | 0.81 | ALDH1A1 (0.44) | ALDH1A1LMNATSHRCA12CA1 | |
| SCHEMBL16445957 | 0.77 | ALDH1A1 (0.68) | ALDH1A1LMNATSHRCA1CA2 | |
| SCHEMBL9928458 | 0.74 | KDM4E (0.50) | ALDH1A1LMNATSHRCA12CA1 | |
| SCHEMBL17714391 | 0.72 | LMNA (0.53) | ALDH1A1LMNATSHRCA1CA2 | |
| SCHEMBL257672 | 0.72 | ALDH1A1 (0.47) | ALDH1A1LMNATSHRKDM4EHPGD | |
| SCHEMBL24539560 | 0.71 | CA1 (0.46) | ALDH1A1LMNATSHRCA12CA1 | |
| SCHEMBL8109850 | 0.71 | CA12 (0.46) | ALDH1A1LMNATSHRCA12CA1 | |
| SCHEMBL12534230 | 0.71 | KDM4E (0.49) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012029942-A1 | CYCLIC AMIDE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2012-03-08 | — | — | WO | disclosed |