Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ACACA | Q13085 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SUCNR1 | Q9BXA5 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | CKS1B | P61024 | 1/20 | 0.40 |
| ▸ | SKP1 | P63208 | 1/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.40 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1755659 | 0.87 | NQO2 (0.46) | NQO2ACACBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL904115 | 0.87 | NQO2 (0.46) | NQO2ACACBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL901874 | 0.82 | ASIC3 (0.47) | KDM4ELARS1 | |
| SCHEMBL12651361 | 0.81 | FAAH (0.52) | NQO2POLBKDM4ECA2CA1 | |
| SCHEMBL21583862 | 0.80 | POLB (0.46) | NQO2ACACBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21089804 | 0.80 | NQO2 (0.49) | NQO2POLBKDM4ECA2CA1 | |
| SCHEMBL1718277 | 0.80 | NQO2 (0.51) | NQO2CYP3A4POLBKDM4ECA2 | |
| SCHEMBL16765682 | 0.78 | NQO2 (0.50) | NQO2POLBKDM4ECA2CA1 | |
| SCHEMBL23582072 | 0.78 | ASIC3 (0.40) | ACACBCYP1A2CYP3A4CYP2C9ACACA | |
| SCHEMBL30381296 | 0.78 | ASIC3 (0.40) | ACACBCYP1A2CYP3A4CYP2C9ACACA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2441755-A1 | Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors | Almirall, S.A. (ES) | 2012-04-18 | — | — | EP | disclosed |
| WO-2012041476-A1 | PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS | ALMIRALL, S.A. (ES) | 2012-04-05 | — | — | WO | disclosed |