Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ESRRA | P11474 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.38 |
| ▸ | SPR | P35270 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14293530 | 0.86 | ESRRA (0.40) | CYP2C19CYP2C9ESRRAALDH1A1LMNA | |
| SCHEMBL4907955 | 0.83 | ESRRA (0.38) | CYP2C19CYP2C9ESRRAALDH1A1LMNA | |
| SCHEMBL13436160 | 0.77 | LMNA (0.38) | CYP2C19CYP2C9ESRRAALDH1A1LMNA | |
| SCHEMBL1404531 | 0.75 | ALDH1A1 (0.48) | CYP2C19CYP2C9ESRRAALDH1A1LMNA | |
| SCHEMBL4782153 | 0.73 | NOTUM (0.37) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL4782157 | 0.73 | NOTUM (0.37) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL5481626 | 0.72 | CYP2C9 (0.59) | CYP2C19CYP2C9ALDH1A1LMNACA1 | |
| SCHEMBL3120898 | 0.71 | TSHR (0.50) | LMNA | |
| SCHEMBL26412819 | 0.70 | CYP2C9 (0.56) | CYP2C19CYP2C9LMNACA1CA2 | |
| SCHEMBL14293383 | 0.70 | RXRA (0.35) | ESRRACA1CA2CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008021388-A1 | HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS | KEMIA, INC. (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2008021388-A1 | HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS | KEMIA, INC. (US) | 2008-02-21 | — | — | WO | disclosed |