Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | 0.86 | ALOX5 (0.46) | GRIN3BGRIN1GRIN2CALOX5NAMPT | |
| SCHEMBL5230822 | 0.83 | ALOX5 (0.47) | GRIN3BGRIN1GRIN2CALOX5NAMPT | |
| SCHEMBL5233339 | 0.79 | CYP2A6 (0.54) | NAMPTLIMK1ALDH1A1ALOX15HTT | |
| SCHEMBL4710923 | 0.78 | ALDH1A1 (0.34) | ALDH1A1MAPTKDM4EKMT2A | |
| SCHEMBL29631244 | 0.76 | PDGFRB (0.44) | GRIN3BGRIN1GRIN2CALOX5ALDH1A1 | |
| SCHEMBL7528026 | 0.76 | KDM4E (0.39) | GRIN3BGRIN1GRIN2CALOX5NAMPT | |
| SCHEMBL843784 | 0.75 | GRIN3B (0.57) | GRIN3BGRIN1GRIN2CALOX5NAMPT | |
| SCHEMBL29365840 | 0.75 | GRIN3B (0.57) | GRIN3BGRIN1GRIN2CALOX5NAMPT | |
| SCHEMBL2761209 | 0.74 | BCL2L1 (0.56) | — | |
| SCHEMBL3308576 | 0.73 | GRIN3B (0.56) | GRIN3BGRIN1GRIN2CALOX5NAMPT |
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 |