Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.51 |
| ▸ | CA2 | P00918 | 4/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | MMP13 | P45452 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
| ▸ | MMP7 | P09237 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3417603 | 0.86 | CA1 (0.52) | ALDH1A1SIGMAR1CA1CA2CA12 | |
| SCHEMBL14314016 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL855612 | 0.83 | ALDH1A1 (0.63) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL3013616 | 0.81 | CA1 (0.51) | ALDH1A1SIGMAR1CA1CA2CA12 | |
| SCHEMBL196841 | 0.81 | ALDH1A1 (0.42) | ALDH1A1SIGMAR1CA1CA2CA12 | |
| SCHEMBL9281374 | 0.81 | CYP2C19 (0.67) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL13508580 | 0.79 | ALDH1A1 (0.65) | ALDH1A1CA1CA2CYP19A1MMP1 | |
| SCHEMBL3020463 | 0.79 | ALDH1A1 (0.68) | ALDH1A1SIGMAR1CA1CA2CYP19A1 | |
| SCHEMBL1368414 | 0.78 | LMNA (0.46) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL9577239 | 0.78 | SIGMAR1 (0.68) | ALDH1A1SIGMAR1CA1CA2CYP19A1 |
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-2008021388-A1 | HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS | KEMIA, INC. (US) | 2008-02-21 | — | — | WO | disclosed |