Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.46 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL10397390 | 0.94 | HSD17B1 (0.59) | HSD17B1MAPTSMN1; SMN2ALDH1A1TRIM24 | |
| SCHEMBL97268 | 0.88 | ALDH1A1 (0.62) | HSD17B1MAPTSMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL11754087 | 0.85 | HSD17B1 (0.70) | HSD17B1MAPTSMN1; SMN2KMT2AADORA3 | |
| SCHEMBL13211664 | 0.84 | MAPT (0.50) | HSD17B1MAPTSMN1; SMN2ALDH1A1TRIM24 | |
| SCHEMBL14565804 | 0.82 | ALDH1A1 (0.76) | ALDH1A1TRIM24TRIM33RXRARXRB | |
| SCHEMBL14565866 | 0.82 | ALDH1A1 (0.76) | ALDH1A1TRIM24TRIM33RXRARXRB | |
| SCHEMBL16102962 | 0.82 | ALDH1A1 (0.76) | ALDH1A1TRIM24TRIM33RXRARXRB | |
| SCHEMBL19263840 | 0.82 | ALDH1A1 (0.56) | HSD17B1MAPTSMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL25249571 | 0.81 | CYP2A6 (0.50) | ALDH1A1TRIM24TRIM33KIF11RAB9A | |
| SCHEMBL4096252 | 0.81 | CYP2A6 (0.50) | ALDH1A1TRIM24TRIM33KIF11RAB9A |
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-2020034476-A1 | POROUS ORGANIC CAGE LIGAND CONTAINING P AND N AND COMPLEX CATALYST AND APPLICATION | 中国科学院大连化学物理研究所 | 2020-02-20 | — | — | WO | disclosed |