Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157848 | 0.85 | CA12 (0.45) | CA12CA1CA9CYP17A1ALDH1A1 | |
| SCHEMBL27690605 | 0.84 | CA1 (0.44) | CA12CA1CA9CYP17A1ALDH1A1 | |
| SCHEMBL23164348 | 0.80 | ALDH1A1 (0.48) | CA12CA1CA9CYP17A1ALDH1A1 | |
| SCHEMBL31292271 | 0.80 | MTNR1A (0.43) | MTNR1AMTNR1BCA1GAAHDAC1 | |
| SCHEMBL7341428 | 0.78 | ALDH1A1 (0.41) | CA12CA1CA9CYP17A1ALDH1A1 | |
| SCHEMBL31679547 | 0.78 | ALDH1A1 (0.56) | CA12CA1CA9ALDH1A1GAA | |
| SCHEMBL8708428 | 0.78 | ALDH1A1 (0.56) | CA12CA1CA9ALDH1A1GAA | |
| SCHEMBL6096909 | 0.77 | CA1 (0.48) | CA12CA1CA9CYP17A1ALDH1A1 | |
| SCHEMBL15538944 | 0.77 | SMN1; SMN2 (0.59) | CYP17A1PPARGALDH1A1PPARAKDM4E | |
| SCHEMBL4612314 | 0.77 | CA12 (0.48) | CA12CA1CA9CYP17A1ALDH1A1 |
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-2023155873-A1 | CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PHARMACEUTICS | 江苏恒瑞医药股份有限公司 | 2023-08-24 | — | — | WO | disclosed |