Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27718543 | 0.84 | CYP2A6 (0.53) | CYP2A6ALOX15HTTCHRNA7ALDH1A1 | |
| SCHEMBL5233339 | 0.83 | CYP2A6 (0.54) | CYP2A6ALOX15HTTCHRNA7ALDH1A1 | |
| SCHEMBL5230822 | 0.81 | ALOX5 (0.47) | ALOX15HTTALDH1A1PLK1TP53 | |
| SCHEMBL12613816 | 0.79 | CYP2A6 (0.51) | CYP2A6ALOX15HTTALDH1A1TP53 | |
| SCHEMBL5198179 | 0.78 | HDAC3 (0.49) | CYP2A6ALOX15LMNARAB9A | |
| SCHEMBL1098501 | 0.77 | HPGD (0.54) | CYP2A6ALOX15HTTCHRNA7ALDH1A1 | |
| SCHEMBL8801403 | 0.77 | BACE1 (0.38) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| SCHEMBL5230830 | 0.72 | CA2 (0.51) | CHRNA7ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL15194378 | 0.71 | CYP2A6 (0.51) | CYP2A6CHRNA7ALDH1A1KDM4ELMNA | |
| SCHEMBL5234682 | 0.71 | CHRNA7 (0.41) | CHRNA7ALDH1A1KDM4EHPGDNPC1 |
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 |