Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.57 |
| ▸ | RAB9A | P51151 | 7/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3238038 | 0.89 | HDAC3 (0.63) | NPC1RAB9AHDAC3NCOR2EPHX2 | |
| SCHEMBL7981993 | 0.87 | HDAC3 (0.64) | NPC1RAB9AHDAC3NCOR2EPHX2 | |
| SCHEMBL3233410 | 0.87 | HDAC3 (0.65) | NPC1RAB9AHDAC3NCOR2EPHX2 | |
| SCHEMBL27790804 | 0.87 | HDAC3 (0.65) | NPC1RAB9AHDAC3NCOR2EPHX2 | |
| SCHEMBL9191952 | 0.86 | HDAC3 (0.71) | NPC1RAB9AHDAC3NCOR2 | |
| SCHEMBL23080107 | 0.84 | NPC1 (0.59) | NPC1RAB9AHDAC3NCOR2EPHX2 | |
| SCHEMBL6763786 | 0.84 | HDAC3 (0.74) | NPC1RAB9AHDAC3NCOR2EPHX2 | |
| SCHEMBL8638370 | 0.84 | NPC1 (0.59) | NPC1RAB9AHDAC3NCOR2EPHX2 | |
| SCHEMBL8989372 | 0.84 | NPC1 (0.59) | NPC1RAB9AHDAC3NCOR2 | |
| SCHEMBL2037095 | 0.83 | NPC1 (0.57) | NPC1RAB9AHDAC3NCOR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994005627-A1 | HYDROXAMIC ACID-BASED BIFUNCTIONAL CHELATING COMPOUNDS | UAB RESEARCH FOUNDATION (US) | 1994-03-17 | — | — | WO | claimed |
| EP-2190845-A2 | HDAC INHIBITORS | ArQule, Inc. (US) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009026446-A9 | HDAC INHIBITORS | ARQULE, INC. (US) | 2010-03-11 | — | — | WO | disclosed |
| WO-2009026446-A2 | HDAC INHIBITORS | ARQULE, INC. (US) | 2009-02-26 | — | — | WO | disclosed |
| WO-1994005627-A1 | HYDROXAMIC ACID-BASED BIFUNCTIONAL CHELATING COMPOUNDS | UAB RESEARCH FOUNDATION (US) | 1994-03-17 | — | — | WO | disclosed |