Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL20122416 | 0.91 | HDAC4 (0.31) | HDAC4HDAC1EPHX1 | |
| SCHEMBL20122398 | 0.88 | EPHX1 (0.30) | EPHX1 | |
| SCHEMBL20122432 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL20122434 | 0.81 | — | — | |
| SCHEMBL20122429 | 0.81 | CYP1A2 (0.33) | — | |
| SCHEMBL20122409 | 0.81 | KDM4E (0.44) | — | |
| SCHEMBL20122428 | 0.80 | — | — | |
| SCHEMBL20122580 | 0.79 | NPC1 (0.31) | — | |
| SCHEMBL20122506 | 0.79 | CYP19A1 (0.30) | — | |
| SCHEMBL20122380 | 0.79 | EPHX1 (0.32) | EPHX1CACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| US-9963428-B1 | Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2018-05-08 | — | — | US | disclosed |