Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20032283 | 0.89 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7768816 | 0.86 | CA1 (0.51) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8570601 | 0.82 | HDAC8 (0.43) | CA1CA2CA12CA9CA14 | |
| SCHEMBL21656852 | 0.81 | CA12 (0.53) | CA1CA2CA12CA7CA9 | |
| Ethylene Glycol SCHEMBL1538248 | 0.79 | CA1 (0.73) | CA1CA2CA12CA7CA9 | |
| SCHEMBL828579 | 0.78 | CA1 (0.66) | CA1CA2CA12CA7CA9 | |
| Alcohol SCHEMBL27327774 | 0.77 | CA1 (0.76) | CA1CA2CA12CA7CA9 | |
| SCHEMBL87450 | 0.77 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| SCHEMBL10610623 | 0.77 | CA1 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1789210 | 0.77 | CA1 (0.59) | CA1CA2CA12CA7CA9 |
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-0846687-B1 | Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors | LILLY CO ELI (US) | 2001-08-08 | — | — | EP | disclosed |
| US-5972972-A | FOR TREATMENT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA-INDUCED SHOCK, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, RHEUMATOID ARTHRITIS | ELI LILLY AND COMPANY (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1998024437-A1 | PYRAZOLES AS HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 INHIBITORS | ELI LILLY AND COMPANY (US) | 1998-06-11 | — | — | WO | disclosed |
| EP-0846687-A1 | Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors | ELI LILLY AND COMPANY (US) | 1998-06-10 | — | — | EP | disclosed |