Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 8/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 8/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 8/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 8/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 8/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 8/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 8/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4742872 | 0.80 | HDAC3 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4744855 | 0.80 | HDAC3 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4744853 | 0.78 | HDAC3 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4744851 | 0.78 | HDAC3 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4788511 | 0.78 | HDAC3 (0.61) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4788516 | 0.78 | HDAC3 (0.61) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4745115 | 0.77 | CTSS (0.48) | GRM5ATMCYP3A4 | |
| SCHEMBL4745113 | 0.77 | CTSS (0.48) | GRM5ATMCYP3A4 | |
| SCHEMBL4742802 | 0.76 | GRM5 (0.40) | GRM5ATMCYP3A4AAK1 | |
| SCHEMBL4742805 | 0.76 | GRM5 (0.40) | GRM5ATMCYP3A4AAK1 |
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-2008109613-A1 | BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS | WYETH (US) | 2008-09-12 | — | — | WO | disclosed |