Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.53 |
| ▸ | CA9 | Q16790 | 6/20 | 0.53 |
| ▸ | NQO2 | P16083 | 6/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL30908307 | 0.80 | CYP19A1 (0.46) | CA12CA9NQO2CYP19A1KDM4E | |
| SCHEMBL3140886 | 0.76 | CA12 (0.58) | CA12CA9GRIN2DGRIN3BGRIN1 | |
| SCHEMBL2305754 | 0.74 | BRD4 (0.41) | NQO2CA4ALOX5APFEN1 | |
| SCHEMBL25249996 | 0.74 | PDE3B (0.45) | CA12CA9NQO2CYP19A1GRIN2D | |
| SCHEMBL17509822 | 0.73 | NQO2 (0.70) | NQO2CYP19A1KDM4EALDH1A1HPGD | |
| SCHEMBL29970624 | 0.72 | CA12 (0.58) | CA12CA9ALDH1A1CA1CA7 | |
| SCHEMBL21631578 | 0.72 | CA12 (0.58) | CA12CA9ALDH1A1CA1CA7 | |
| SCHEMBL4573974 | 0.72 | CA12 (0.58) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL30516741 | 0.71 | STING1 (0.40) | CA12CA9GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6378203 | 0.71 | CA12 (0.45) | CA12CA9NQO2CYP19A1GRIN2D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008120003-A1 | SUBSTITUTED PIPERIDINES FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2008-10-09 | — | — | WO | disclosed |