Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23934183 | 0.87 | CES2 (0.50) | ALDH1A1KDM4ECES2CES1MEN1 | |
| SCHEMBL23934178 | 0.87 | CES2 (0.50) | ALDH1A1KDM4ECES2CES1MEN1 | |
| SCHEMBL8089512 | 0.76 | CES1 (0.48) | ALDH1A1ALOX15TSHRCES2CES1 | |
| SCHEMBL88045 | 0.76 | CES1 (0.48) | ALDH1A1ALOX15TSHRCES2CES1 | |
| SCHEMBL23934177 | 0.73 | ALDH1A1 (0.47) | ALDH1A1KDM4EPOLBHDAC3HDAC1 | |
| SCHEMBL12095977 | 0.72 | AKR1B1 (0.52) | ALDH1A1POLBALOX15TSHRCES2 | |
| SCHEMBL3979241 | 0.72 | CES1 (0.44) | ALDH1A1HDAC3HDAC1HDAC2ALOX15 | |
| SCHEMBL2940335 | 0.71 | CES1 (0.40) | ALDH1A1ALOX15TSHRCES2CES1 | |
| SCHEMBL1356249 | 0.71 | HSD17B3 (0.69) | ALDH1A1HDAC3HDAC1HDAC2HPGD | |
| SCHEMBL9189325 | 0.71 | ALDH1A1 (0.46) | ALDH1A1ALOX15TSHRCES2CES1 |
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-2020119549-A1 | METHOD FOR DIRECTLY CONSTRUCTING TETRA-SUBSTITUTED ALLENIC ACID COMPOUND HAVING HIGH OPTICAL ACTIVITY | 复旦大学 | 2020-06-18 | — | — | WO | disclosed |