Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 12/20 | 0.46 |
| ▸ | CNR1 | P21554 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | RORA | P35398 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | RORB | Q92753 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27831439 | 0.95 | PTGDR2 (0.45) | PTGDR2CNR2CNR1ALDH1A1KDM4E | |
| SCHEMBL27811138 | 0.80 | PTGDR2 (0.61) | PTGDR2 | |
| SCHEMBL27811117 | 0.77 | CA12 (0.65) | CNR2CNR1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL27589738 | 0.73 | CNR2 (0.58) | CNR2CNR1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL27811234 | 0.72 | MAPT (0.44) | KDM4ECA12CA1CA2CA9 | |
| SCHEMBL27811494 | 0.72 | PTGDR2 (0.62) | PTGDR2LMNAKMT2A | |
| SCHEMBL28763406 | 0.70 | KDM4E (0.63) | CNR2CNR1ALDH1A1KDM4ESLC6A3 | |
| SCHEMBL3614239 | 0.70 | KDM4E (0.51) | CNR2CNR1ALDH1A1KDM4ELMNA | |
| SCHEMBL209212 | 0.70 | TLR8 (0.45) | CA12CA1CA2CA9 | |
| SCHEMBL11155890 | 0.70 | CNR2 (0.70) | CNR2CNR1SLC6A3LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-102093341-B | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2013-07-24 | — | — | CN | disclosed |
| CN-102093341-A | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2011-06-15 | — | — | CN | disclosed |