Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9807162 | 0.84 | GRIN2D (0.33) | HDAC4HDAC2HDAC8HDAC6ALDH1A1 | |
| SCHEMBL7208738 | 0.80 | GRIN2D (0.41) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL1564392 | 0.80 | GRIN2D (0.41) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL8473086 | 0.75 | PELI1 (0.30) | PELI1 | |
| SCHEMBL18787990 | 0.73 | BACE1 (0.39) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL8471949 | 0.70 | PELI1 (0.37) | ALDH1A1PELI1 | |
| SCHEMBL23838467 | 0.70 | ALDH1A1 (0.39) | ALDH1A1MAPK1 | |
| SCHEMBL24311343 | 0.69 | PDCD1 (0.38) | ALDH1A1HSD17B10HPGDMAPK1 | |
| SCHEMBL4069489 | 0.68 | ALDH1A1 (0.36) | HDAC4HDAC2HDAC8HDAC6ALDH1A1 | |
| SCHEMBL29044990 | 0.68 | ALDH1A1 (0.32) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5980855-A | REACTING A METAL COMPOUND WITH LITHIUM METAL IN THE PRESENCE OF AN AROMATIC HYDROCARBON CATALYST | RENTECH, INC. (US) | 1999-11-09 | — | — | US | disclosed |