Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.38 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PTGFR | P43088 | 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 | |
|---|---|---|---|---|
| SCHEMBL22075469 | 0.90 | VNN1 (0.38) | GRM1KCNQ3KCNQ2KCNQ5MAOB | |
| SCHEMBL22103180 | 0.81 | PIK3CA (0.40) | HDAC1HDAC6MAPTALDH1A1 | |
| SCHEMBL26003352 | 0.79 | KDM4E (0.42) | HDAC6GRM1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL22075266 | 0.77 | ERCC5 (0.40) | HDAC1HDAC6GRM1KCNQ3KCNQ2 | |
| SCHEMBL22075124 | 0.76 | PIK3CA (0.40) | SMN1; SMN2LMNA | |
| SCHEMBL22074806 | 0.75 | PIK3CA (0.42) | HDAC1HDAC6MAPTLMNATP53 | |
| SCHEMBL3158828 | 0.75 | GAA (0.44) | MAPTALDH1A1LMNAHPGD | |
| SCHEMBL23389840 | 0.74 | NPC1 (0.40) | HDAC1HDAC6GRM1SMN1; SMN2LMNA | |
| SCHEMBL29796631 | 0.74 | NPC1 (0.40) | HDAC1HDAC6GRM1SMN1; SMN2LMNA | |
| SCHEMBL29151068 | 0.73 | MAOB (0.50) | MAPTSMN1; SMN2ALDH1A1HPGDL3MBTL1 |
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 |