Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 11/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7198249 | 1.00 | CA1 (0.41) | CA1CA2APLNRLDHATBXAS1 | |
| SCHEMBL7192273 | 0.86 | CA1 (0.38) | CA1CA2APLNRTBXAS1HDAC4 | |
| SCHEMBL3953584 | 0.86 | TBXAS1 (0.43) | CA1CA2APLNRLDHATBXAS1 | |
| SCHEMBL7192269 | 0.86 | CA1 (0.37) | CA1CA2APLNRTBXAS1HDAC4 | |
| SCHEMBL4848914 | 0.85 | CA1 (0.44) | CA1CA2APLNRTBXAS1HDAC4 | |
| SCHEMBL14424972 | 0.85 | CA1 (0.37) | CA1CA2APLNRTBXAS1HDAC4 | |
| SCHEMBL14424945 | 0.85 | CA1 (0.37) | CA1CA2APLNRTBXAS1HDAC4 | |
| SCHEMBL6817267 | 0.84 | CA1 (0.43) | CA1CA2LDHATBXAS1NPC1 | |
| SCHEMBL6818117 | 0.84 | CA1 (0.43) | CA1CA2LDHATBXAS1NPC1 | |
| SCHEMBL7096896 | 0.83 | CA1 (0.40) | CA1CA2APLNRTBXAS1HDAC4 |
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-2003080567-A2 | INTERMEDIATES FOR THE SYNTHESIS OF DISCODERMOLIDE AND RELATED ANALOGUES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2003-10-02 | — | — | WO | disclosed |