Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 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 | |
|---|---|---|---|---|
| SCHEMBL21037791 | 0.81 | NR4A2 (0.65) | ALDH1A1ATMGAANPSR1PARP1 | |
| SCHEMBL10321304 | 0.81 | ALDH1A1 (0.54) | ALDH1A1ATMGAANPSR1PARP1 | |
| SCHEMBL26250363 | 0.80 | NR4A2 (0.68) | ALDH1A1ATMGAANR4A2PIM3 | |
| SCHEMBL27275844 | 0.80 | NR4A2 (0.42) | ALDH1A1ATMGAANPSR1NR4A2 | |
| SCHEMBL3631203 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ATMGAANPSR1PARP1 | |
| SCHEMBL5102654 | 0.77 | HTR2A (0.52) | ALDH1A1ATMPARP1NR4A2CLK1 | |
| SCHEMBL2588267 | 0.74 | ALDH1A1 (0.50) | ALDH1A1ATMGAANPSR1PARP1 | |
| SCHEMBL29926543 | 0.74 | ALDH1A1 (0.50) | ALDH1A1ATMGAANPSR1PARP1 | |
| SCHEMBL29335910 | 0.74 | HTR2A (0.43) | NR4A2HTR1AHTR7 | |
| SCHEMBL5269870 | 0.73 | HTR2C (0.47) | ALDH1A1GAANPSR1CLK1HTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3013337-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | Abbvie Inc. (US) | 2016-05-04 | — | — | EP | disclosed |
| WO-2014210255-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC. (US) | 2014-12-31 | — | — | WO | disclosed |