Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 6/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23598175 | 0.86 | CACNA2D1 (0.37) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL27323574 | 0.86 | CACNA2D1 (0.37) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL25565564 | 0.86 | CACNA2D1 (0.37) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL25122598 | 0.85 | CACNA2D1 (0.39) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL25856312 | 0.85 | HRH3 (0.40) | CACNA2D1CACNA1BCACNB1CACNA1CHRH3 | |
| SCHEMBL10092712 | 0.84 | CACNA2D1 (0.43) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL21473688 | 0.81 | ALDH1A1 (0.38) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL27012457 | 0.80 | CCR2 (0.37) | HRH3CCR2POLBKCNH2MEN1 | |
| SCHEMBL24204398 | 0.79 | NCF1 (0.41) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL24236669 | 0.79 | ALDH1A1 (0.42) | ALDH1A1HRH3NCF1CCR2POLB |
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-2020123453-A2 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-06-18 | — | — | WO | disclosed |