Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28750537 | 0.85 | ALOX5 (0.46) | ALOX5GRIN3BGRIN1GRIN2CALOX15 | |
| SCHEMBL5228230 | 0.83 | GRIN3B (0.44) | ALOX5GRIN3BGRIN1GRIN2CALOX15 | |
| SCHEMBL5232001 | 0.81 | CYP2A6 (0.50) | ALOX15HTTALDH1A1PLK1MAPT | |
| SCHEMBL29631244 | 0.79 | PDGFRB (0.44) | ALOX5GRIN3BGRIN1GRIN2CALDH1A1 | |
| SCHEMBL5198179 | 0.76 | HDAC3 (0.49) | ALOX5ALOX15DYRK1ACYP1A2GAA | |
| SCHEMBL843685 | 0.76 | GRIN3B (0.52) | ALOX5GRIN3BGRIN1GRIN2CALOX15 | |
| SCHEMBL29368089 | 0.76 | GRIN3B (0.52) | ALOX5GRIN3BGRIN1GRIN2CALOX15 | |
| SCHEMBL5776214 | 0.73 | GRIN3B (0.59) | ALOX5GRIN3BGRIN1GRIN2CHTT | |
| SCHEMBL7528026 | 0.73 | KDM4E (0.39) | ALOX5GRIN3BGRIN1GRIN2CHTT | |
| SCHEMBL5231463 | 0.72 | SLC9A1 (0.47) | ALOX15ALDH1A1MEN1KMT2APOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1461335-B1 | 2-HETEROARYLCARBOXYLIC ACID AMIDES | BAYER HEALTHCARE AG (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1461335-A1 | 2-HETEROARYLCARBOXYLIC ACID AMIDES | Bayer HealthCare AG (DE) | 2004-09-29 | — | — | EP | disclosed |
| WO-2003055878-A1 | 2-HETEROARYLCARBOXYLIC ACID AMIDES | BAYER HEALTHCARE AG (DE) | 2003-07-10 | — | — | WO | disclosed |