Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | CA7 | P43166 | 3/20 | 0.59 |
| ▸ | CA9 | Q16790 | 3/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.59 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.59 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17201140 | 0.88 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31586510 | 0.88 | PPARA (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20503308 | 0.88 | PPARA (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26270868 | 0.86 | MAPT (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27658218 | 0.85 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8002537 | 0.85 | GAA (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26103595 | 0.85 | CA12 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2324256 | 0.84 | NPC1 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5676528 | 0.83 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15498466 | 0.83 | KDM4E (0.45) | CA12CA1CA2CA7CA9 |
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-2005009995-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2005-02-03 | — | — | WO | disclosed |