Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 5/20 | 0.39 |
| ▸ | MMP1 | P03956 | 4/20 | 0.39 |
| ▸ | MMP3 | P08254 | 4/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | FDPS | P14324 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.36 |
| ▸ | MMP8 | P22894 | 3/20 | 0.36 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5771056 | 0.82 | CA1 (0.46) | CES2CES1MMP2MMP1MMP3 | |
| SCHEMBL6628238 | 0.80 | LPAR3 (0.48) | CES2CES1FDPSTSHRLPAR3 | |
| SCHEMBL6625587 | 0.78 | LPAR3 (0.52) | CES2CES1TSHRLPAR3LPAR2 | |
| SCHEMBL7640729 | 0.78 | LPAR3 (0.52) | CES2CES1TSHRLPAR3LPAR2 | |
| SCHEMBL7568850 | 0.78 | LPAR3 (0.52) | CES2CES1TSHRLPAR3LPAR2 | |
| SCHEMBL16527347 | 0.75 | CES2 (0.40) | CES2CES1MMP2MMP1MMP3 | |
| SCHEMBL3989010 | 0.73 | — | — | |
| SCHEMBL3469568 | 0.73 | — | — | |
| SCHEMBL483074 | 0.73 | — | — | |
| SCHEMBL10878838 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1227098-B1 | TRIAZOLOPURINE DERIVATIVES, DRUG COMPOSITIONS CONTAINING THE SAME AND ADENOSINE A3 RECEPTOR AFFINITIVE AGENTS | OTSUKA PHARMA CO LTD (JP) | 2004-04-28 | — | — | EP | disclosed |
| US-6686343-B1 | Triazolopurine derivatives, pharmaceutical compositions containing the derivatives, and adenosine A3 receptor affinitive agents | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2004-02-03 | — | — | US | disclosed |
| EP-1227098-A1 | TRIAZOLOPURINE DERIVATIVES, DRUG COMPOSITIONS CONTAINING THE SAME AND ADENOSINE A3 RECEPTOR AFFINITIVE AGENTS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2002-07-31 | — | — | EP | disclosed |
| US-6245779-B1 | ANALGESICS; ANTIINFLAMMATORY AGENTS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-06-12 | — | — | US | disclosed |
| EP-0997463-A1 | NAPHTHYRIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2000-05-03 | — | — | EP | disclosed |