Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | IDH2 | P48735 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1081818 | 0.87 | RORC (0.49) | CA12CA2CA9CA1DRD1 | |
| SCHEMBL1069328 | 0.82 | DRD1 (0.64) | CA12CA2CA9CA1DRD1 | |
| SCHEMBL3879530 | 0.80 | CA2 (0.66) | CA12CA2CA9CA1PTGS2 | |
| SCHEMBL1068740 | 0.77 | CA12 (0.50) | CA12CA2CA9CA1PTGS2 | |
| SCHEMBL5038281 | 0.76 | NCOA1 (0.45) | TDP1 | |
| Hydrochloric Acid SCHEMBL16015050 | 0.76 | CA12 (0.49) | CA12CA2CA9CA1PTGS2 | |
| SCHEMBL4733933 | 0.76 | CA2 (0.61) | CA12CA2CA9CA1PTGS2 | |
| SCHEMBL4802122 | 0.74 | CA2 (0.55) | CA12CA2CA9CA1PTGS2 | |
| SCHEMBL28720444 | 0.74 | CA12 (0.54) | CA12CA2CA9CA1DRD1 | |
| SCHEMBL2311228 | 0.74 | ABL1 (0.53) | CA12CA2CA9CA1PTGS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451285-A1 | PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-05-16 | — | — | EP | claimed |
| WO-2011005608-A1 | PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-01-13 | — | — | WO | claimed |
| EP-2451285-A1 | PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005608-A1 | PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-01-13 | — | — | WO | disclosed |