Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.35 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | PDE6D | O43924 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691728 | 0.93 | HDAC3 (0.39) | HDAC3HDAC1HDAC2NCOR2KDM1A | |
| SCHEMBL4049754 | 0.79 | HTR2A (0.37) | HDAC3HDAC1HDAC2NCOR2KDM1A | |
| SCHEMBL2892016 | 0.78 | KDM1A (0.36) | HDAC3HDAC1HDAC2NCOR2KDM1A | |
| SCHEMBL2892096 | 0.74 | HDAC3 (0.45) | HDAC3HDAC1HDAC2NCOR2KDM1A | |
| SCHEMBL4691726 | 0.72 | HDAC3 (0.37) | HDAC3HDAC1HDAC2NCOR2KDM1A | |
| SCHEMBL2900453 | 0.71 | HTR2A (0.37) | KDM1AHDAC8HDAC6 | |
| SCHEMBL8329333 | 0.71 | KDM1A (0.40) | HDAC3HDAC1HDAC2NCOR2KDM1A | |
| SCHEMBL8327226 | 0.70 | HDAC3 (0.41) | HDAC3HDAC1HDAC2NCOR2KDM1A | |
| SCHEMBL8330600 | 0.70 | KDM1A (0.39) | HDAC3HDAC1HDAC2NCOR2KDM1A | |
| SCHEMBL2900197 | 0.69 | KDM1A (0.42) | HDAC3HDAC1HDAC2NCOR2KDM1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725102-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-04-29 | — | — | EP | disclosed |
| EP-1725102-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005092099-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-10-06 | — | — | WO | disclosed |