Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NOD2 | Q9HC29 | 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 | |
|---|---|---|---|---|
| SCHEMBL5230123 | 0.83 | CHRNA7 (0.38) | CHRNA7CES2CES1GAAKMT2A | |
| SCHEMBL5233818 | 0.79 | CHRNA7 (0.39) | CHRNA7CES2CES1GAANPC1 | |
| SCHEMBL2898184 | 0.74 | GPR35 (0.48) | CHRNA7CES2CES1KMT2ANOTUM | |
| SCHEMBL5234254 | 0.74 | KMT2A (0.39) | CHRNA7KMT2ALMNANPC1RAB9A | |
| SCHEMBL2892797 | 0.72 | CHRNA7 (0.46) | CHRNA7GAAKMT2ALMNANPC1 | |
| SCHEMBL5238184 | 0.70 | KMT2A (0.41) | CHRNA7GAAKMT2ALMNAMEN1 | |
| SCHEMBL19546521 | 0.70 | CES2 (0.41) | CES2CES1GAAKMT2AERN1 | |
| SCHEMBL12490192 | 0.68 | CLK1 (0.51) | CHRNA7LMNAMAPT | |
| SCHEMBL12490653 | 0.68 | CYP2A6 (0.41) | CHRNA7ERN1RAB9ASMN1; SMN2 | |
| SCHEMBL1365999 | 0.68 | CES2 (0.37) | CHRNA7CES2CES1ERN1NPC1 |
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 |