Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6244118 | 0.90 | MEN1 (0.41) | POLBRAB9AHPGDLMNAALDH1A1 | |
| SCHEMBL5699570 | 0.87 | GAA (0.49) | POLBRAB9ALMNAALDH1A1CYP3A4 | |
| SCHEMBL6245825 | 0.82 | CTSS (0.51) | POLBHPGDLMNAALDH1A1TSHR | |
| SCHEMBL290981 | 0.78 | TDP1 (0.50) | POLBRAB9AHPGDLMNAALDH1A1 | |
| Water SCHEMBL2946569 | 0.77 | TDP1 (0.49) | POLBRAB9AHPGDLMNAALDH1A1 | |
| SCHEMBL5774552 | 0.75 | EPHX1 (0.43) | POLBALDH1A1HCAR2CYP1A2CYP2C19 | |
| SCHEMBL5085119 | 0.74 | CTSK (0.50) | PPARGPPARACTSKCTSS | |
| SCHEMBL6261928 | 0.72 | CTSS (0.45) | POLBHPGDLMNAALDH1A1TSHR | |
| SCHEMBL6241020 | 0.72 | CTSS (0.45) | POLBHPGDLMNAALDH1A1TSHR | |
| SCHEMBL8442388 | 0.72 | KMT2A (0.53) | POLBRAB9ALMNAALDH1A1MAPK1 |
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-1409466-A2 | HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS | AGOURON PHARMACEUTICALS, INC. (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2002100844-A2 | HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS | AGOURON PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |