Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 11/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6234222 | 0.80 | ULK1 (0.38) | SCN9AALDH1A1TDP1AURKADHODH | |
| SCHEMBL6237353 | 0.71 | RAPGEF4 (0.49) | ALDH1A1DHODH | |
| SCHEMBL15937997 | 0.69 | KDM4E (0.41) | ALDH1A1TDP1 | |
| SCHEMBL6237657 | 0.69 | AURKA (0.57) | ALDH1A1TDP1AURKADHODH | |
| SCHEMBL6623767 | 0.68 | CCR4 (0.52) | ALDH1A1TDP1 | |
| SCHEMBL6236093 | 0.68 | CDK4 (0.40) | SCN9A | |
| SCHEMBL11404979 | 0.68 | P2RX7 (0.44) | NOTUMALDH1A1TDP1P2RX7 | |
| SCHEMBL2590517 | 0.68 | P2RX7 (0.49) | NOTUMALDH1A1TDP1P2RX7TRPV1 | |
| SCHEMBL30041659 | 0.67 | EPHX2 (0.48) | SCN9ADHODH | |
| SCHEMBL6240725 | 0.67 | TDO2 (0.51) | — |
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-2005005382-A2 | COMPOUNDS, COMPOSITIONS AND METHODS | CYTOKINETICS, INC. (US) | 2005-01-20 | — | — | WO | disclosed |