Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | NPR3 | P17342 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4299016 | 1.00 | ITGA4 (0.41) | ITGA4ITGB7MAPTATMMAPK1 | |
| SCHEMBL6740469 | 0.85 | ITGA4 (0.43) | ITGA4ITGB7MAPTATMMAPK1 | |
| SCHEMBL6740472 | 0.85 | ITGA4 (0.43) | ITGA4ITGB7MAPTATMMAPK1 | |
| Hydrochloric Acid SCHEMBL5224470 | 0.82 | ITGA4 (0.44) | ITGA4ITGB7MAPTATMMAPK1 | |
| Hydrochloric Acid SCHEMBL5226974 | 0.82 | ITGA4 (0.44) | ITGA4ITGB7MAPTATMMAPK1 | |
| SCHEMBL16538739 | 0.81 | ADAMTS4 (0.44) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL17929798 | 0.81 | ADAMTS4 (0.44) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL3470853 | 0.80 | ITGA4 (0.40) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL13731787 | 0.80 | ITGA4 (0.40) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL3470855 | 0.80 | ITGA4 (0.40) | ITGA4ITGB7MAPTTDP1POLB |
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-2009038412-A2 | BETA-SECRETASE INHIBITING COMPOUNDS | LG LIFE SCIENCES, LTD. (KR) | 2009-03-26 | — | — | WO | disclosed |