Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 7/20 | 0.58 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5049108 | 0.96 | PPARG (0.59) | PPARGNR1H4HDAC3HDAC4HDAC1 | |
| SCHEMBL3460904 | 0.83 | EPHX2 (0.57) | PPARGNR1H4HDAC1HPGDNPC1 | |
| SCHEMBL18864098 | 0.83 | PPARG (0.46) | PPARGNR1H4MAOBEPHX2 | |
| SCHEMBL13491446 | 0.82 | EGLN1 (0.57) | PPARGHDAC1HDAC2HDAC6NPC1 | |
| SCHEMBL6782132 | 0.79 | EPHX2 (0.56) | PPARGNR1H4HDAC3HDAC4HDAC1 | |
| SCHEMBL5645307 | 0.78 | EPHX2 (0.58) | PPARGNR1H4HDAC3HDAC1HPGD | |
| SCHEMBL5643140 | 0.78 | EPHX2 (0.54) | PPARGNR1H4MAOBEPHX2 | |
| SCHEMBL21044728 | 0.78 | NR1H4 (0.76) | PPARGNR1H4HDAC3HDAC4HDAC1 | |
| SCHEMBL5047703 | 0.77 | TP53 (0.53) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5409317 | 0.77 | MAOB (0.57) | PPARGNPC1RAB9AMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1874117-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SmithKline Beecham Corporation (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006116764-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2006-11-02 | — | — | WO | disclosed |