Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.40 |
| ▸ | TUBB | P07437 | 3/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29061980 | 0.89 | PTGS2 (0.47) | CCR1CA9PTGS2PDE4APDE4B | |
| SCHEMBL10910082 | 0.89 | PTGS2 (0.47) | CCR1CA9PTGS2PDE4APDE4B | |
| SCHEMBL8806761 | 0.87 | CCR1 (0.43) | CCR1CA9PTGS2PDE4APDE4B | |
| SCHEMBL10993182 | 0.86 | CA9 (0.42) | CCR1CA9PTGS2PDE4APDE4B | |
| SCHEMBL8807301 | 0.85 | KDM4E (0.44) | CCR1CA9PTGS2PDE4APDE4B | |
| SCHEMBL8805003 | 0.82 | CCR1 (0.55) | CCR1ACHEMAPTKDM4EALDH1A1 | |
| SCHEMBL8807153 | 0.81 | CCR1 (0.54) | CCR1ACHEKDM4EALDH1A1 | |
| SCHEMBL9723254 | 0.80 | CCR1 (0.38) | CCR1PTGS2DHFRMAPTL3MBTL1 | |
| SCHEMBL9491753 | 0.79 | KMT2A (0.39) | CCR1CA9PTGS2PDE4APDE4B | |
| SCHEMBL8807446 | 0.79 | CCR1 (0.53) | CCR1ACHEMAPTL3MBTL1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5132463-A | Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders | MERCK & CO., INC. (US) | 1992-07-21 | — | — | US | disclosed |
| US-5047420-A | Platelet activating factor | MERCK & CO., INC. (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0257921-A2 | New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists | MERCK & CO. INC. (US) | 1988-03-02 | — | — | EP | disclosed |