Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 4/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17675528 | 0.84 | BACE1 (0.42) | TDP2ADRA2APNMTADRA2BADRA2C | |
| SCHEMBL30690 | 0.77 | TDP2 (0.40) | TDP2ADRA2APNMTADRA2BADRA2C | |
| SCHEMBL19514374 | 0.77 | CA1 (0.37) | TDP2BRD4CMA1AHRBACE1 | |
| SCHEMBL15357712 | 0.77 | CA1 (0.37) | TDP2BRD4CMA1AHRBACE1 | |
| SCHEMBL17675643 | 0.77 | CA1 (0.37) | TDP2BRD4CMA1AHRBACE1 | |
| SCHEMBL15357711 | 0.77 | CA1 (0.37) | TDP2BRD4CMA1AHRBACE1 | |
| SCHEMBL17675633 | 0.72 | BACE1 (0.40) | BACE1 | |
| SCHEMBL17675489 | 0.71 | BACE1 (0.44) | ADRA2APNMTADRA2BADRA2CBACE1 | |
| SCHEMBL9958538 | 0.70 | TDP2 (0.46) | TDP2ADRA2APNMTADRA2BADRA2C | |
| SCHEMBL15490174 | 0.70 | BACE1 (0.36) | ADRA2APNMTADRA2BADRA2CBACE1 |
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-2016055858-A1 | COMPOUNDS AND THEIR USE AS BACE INHIBITORS | ASTRAZENECA AB (SE) | 2016-04-14 | — | — | WO | disclosed |