Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 17/20 | 0.87 |
| ▸ | CA1 | P00915 | 16/20 | 0.87 |
| ▸ | CA9 | Q16790 | 12/20 | 0.87 |
| ▸ | CA12 | O43570 | 11/20 | 0.87 |
| ▸ | CA5A | P35218 | 3/20 | 0.87 |
| ▸ | CA7 | P43166 | 3/20 | 0.87 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.87 |
| ▸ | CA4 | P22748 | 2/20 | 0.87 |
| ▸ | CA6 | P23280 | 2/20 | 0.87 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.87 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1144444 | 0.93 | CA2 (1.00) | CA2CA1CA9CA12CA5A | |
| Hydrazine SCHEMBL7570110 | 0.91 | CA2 (0.95) | CA2CA1CA9CA12CA5A | |
| Hydrochloric Acid SCHEMBL981171 | 0.91 | CA2 (0.95) | CA2CA1CA9CA12CA5A | |
| Hydrochloric Acid SCHEMBL6696969 | 0.91 | CA2 (0.95) | CA2CA1CA9CA12CA5A | |
| Hydrochloric Acid SCHEMBL27493662 | 0.89 | CA2 (0.91) | CA2CA1CA9CA12CA5A | |
| SCHEMBL28347321 | 0.77 | CA1 (0.64) | CA2CA1CA9CA12CA5A | |
| SCHEMBL2234970 | 0.77 | CA2 (0.64) | CA2CA1CA9CA12CA5A | |
| SCHEMBL27480187 | 0.77 | CA2 (0.64) | CA2CA1CA9CA12CA5A | |
| SCHEMBL34520 | 0.77 | CA1 (0.64) | CA2CA1CA9CA12CA5A | |
| SCHEMBL28102126 | 0.77 | CA2 (0.70) | CA2CA1CA9CA12CA5A |
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 |
|---|---|---|---|---|---|---|---|
| US-RE38963-E1 | Pyrazoline derivatives, their preparation and application as medicaments | LABORATORIOS DEL DR. ESTEVE (ES) | 2006-01-31 | — | — | US | disclosed |
| EP-1083171-B1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2004-04-28 | — | — | EP | disclosed |
| US-6353117-B1 | ANTIINFLAMMATORY ACTIVITY AND DISEASES IN WHICH CYCLOOXYGENASE-2 PLAYS A PART, WITHOUT HAVING THE GASTRIC AND RENAL TOXICITY OF THE CLASSIC NONSTEROIDAL ANTIINFLAMMATORY AGENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2002-03-05 | — | — | US | disclosed |
| EP-1083171-A1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2001-03-14 | — | — | EP | disclosed |