Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.50 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | LOX | P28300 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL1369364 | 0.79 | CA2 (0.50) | CA2PTGDR2LOXNR1H2NR1H3 | |
| SCHEMBL1271749 | 0.79 | CA2 (0.50) | CA2PTGDR2LOXNR1H2NR1H3 | |
| SCHEMBL7207184 | 0.77 | CA2 (0.66) | CA2LOXHDAC1HDAC8HDAC3 | |
| SCHEMBL13576379 | 0.76 | PSIP1 (0.56) | CA2PTGDR2NR1H2NR1H3ALDH1A1 | |
| SCHEMBL2443608 | 0.75 | CA2 (0.51) | CA2PTGDR2HDAC1HDAC8HDAC3 | |
| SCHEMBL28121364 | 0.74 | KMT2A (0.58) | CA2ALDH1A1 | |
| Water SCHEMBL27737256 | 0.74 | PSIP1 (0.54) | CA2PTGDR2NR1H2NR1H3ALDH1A1 | |
| SCHEMBL1893244 | 0.73 | CA2 (0.50) | CA2PTGDR2NR1H2NR1H3HDAC1 | |
| SCHEMBL3917294 | 0.72 | CA2 (0.67) | CA2HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL14098640 | 0.71 | EPHX2 (0.64) | CA2CYP2C9CYP2C19 |
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-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |