Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23934249 | 0.85 | ALDH1A1 (0.44) | ALDH1A1KDM4ETHRBFNTAFNTB | |
| SCHEMBL22096935 | 0.85 | CES2 (0.56) | ALDH1A1KDM4EGAATHRBFNTA | |
| SCHEMBL6851905 | 0.85 | CES2 (0.56) | ALDH1A1KDM4EGAATHRBFNTA | |
| SCHEMBL9518997 | 0.83 | ALOX15 (0.47) | ALDH1A1KDM4EPOLBGAACTDSP1 | |
| SCHEMBL9518984 | 0.83 | ALOX15 (0.47) | ALDH1A1KDM4EPOLBGAACTDSP1 | |
| SCHEMBL9408920 | 0.81 | PDE4B (0.49) | ALDH1A1KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL23934179 | 0.81 | RAB9A (0.47) | POLBHPGDTSHRMEN1KMT2A | |
| SCHEMBL9815578 | 0.80 | CES2 (0.57) | THRBFNTAFNTBPGGT1BCES2 | |
| SCHEMBL6489175 | 0.79 | MAPT (0.43) | ALDH1A1KDM4EPOLBGAACTDSP1 | |
| SCHEMBL6489191 | 0.79 | MAPT (0.43) | ALDH1A1KDM4EPOLBGAACTDSP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3896053-A1 | METHOD FOR DIRECTLY CONSTRUCTING TETRA-SUBSTITUTED ALLENIC ACID COMPOUND HAVING HIGH OPTICAL ACTIVITY | Fudan University (CN) | 2021-10-20 | — | — | EP | disclosed |