Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | ESRRA | P11474 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 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 | |
|---|---|---|---|---|
| SCHEMBL8635200 | 0.90 | ESRRA (0.46) | PDK2KMT2APARP10ARESRRA | |
| SCHEMBL8637055 | 0.89 | AR (0.43) | ALDH1A1PDK2GAAKMT2APOLB | |
| SCHEMBL9856496 | 0.83 | GAA (0.45) | ALDH1A1ATMGAAXBP1NPSR1 | |
| SCHEMBL24436809 | 0.81 | CYP3A4 (0.47) | ALDH1A1ATMGAAXBP1NPSR1 | |
| SCHEMBL14198838 | 0.80 | PDK2 (0.41) | ALDH1A1PDK2KMT2AMAPTPARP10 | |
| SCHEMBL12896068 | 0.80 | SLC6A4 (0.43) | ALDH1A1PDK2KMT2APARP10FFAR4 | |
| SCHEMBL755578 | 0.79 | ALDH1A1 (0.53) | ALDH1A1GAAKMT2AMAPTAR | |
| SCHEMBL10088513 | 0.79 | EPHX2 (0.45) | ALDH1A1PDK2KMT2APOLBPARP10 | |
| SCHEMBL3140749 | 0.79 | PDK2 (0.41) | ALDH1A1PDK2KMT2APOLBPARP10 | |
| SCHEMBL29952840 | 0.79 | PDK2 (0.41) | ALDH1A1PDK2KMT2APOLBPARP10 |
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-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |