Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11266461 | 0.94 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11258983 | 0.94 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30994803 | 0.85 | ADORA2A (0.47) | ALDH1A1PABPC1SMN1; SMN2ESR1HDAC1 | |
| SCHEMBL11250 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3207994 | 0.83 | LMNA (0.48) | ALDH1A1HSD17B10CYP2C19PABPC1SMN1; SMN2 | |
| SCHEMBL1645813 | 0.81 | LIMK1 (0.44) | ALDH1A1HSD17B10PABPC1SMN1; SMN2KDM4E | |
| SCHEMBL14229107 | 0.80 | CYP1A2 (0.54) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4876735 | 0.77 | TP53 (0.52) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14200339 | 0.77 | CYP1A2 (0.48) | ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29138562 | 0.76 | ADORA2A (0.45) | ALDH1A1SMN1; SMN2ESR1POLBTSPO |
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-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |