Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | BCR | P11274 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13887410 | 0.87 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4013954 | 0.85 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4015211 | 0.82 | CYP2C9 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4017487 | 0.78 | MMP2 (0.48) | ABL1BCRPABPC1APOBEC3AEIF4H | |
| SCHEMBL4023196 | 0.77 | RXFP1 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16574023 | 0.75 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5218434 | 0.75 | NPC1 (0.47) | ABL1BCRALDH1A1NPC1PABPC1 | |
| SCHEMBL5217843 | 0.75 | NPC1 (0.60) | ABL1BCRALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL8354914 | 0.74 | LMNA (0.45) | ABL1BCRNPC1LMNAPABPC1 | |
| SCHEMBL5217102 | 0.74 | MAPT (0.47) | ABL1BCRALDH1A1TSHRSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725544-B1 | 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-05-27 | — | — | EP | disclosed |