Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8096 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL121455 | 0.89 | MAPT (0.64) | MEN1KMT2AMAPTALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL23116894 | 0.86 | MAPT (0.61) | MEN1KMT2AMAPTALDH1A1KDM4E | |
| Dimethylamine SCHEMBL7258854 | 0.86 | MAPT (0.61) | MEN1KMT2AMAPTALDH1A1KDM4E | |
| Acetone SCHEMBL11318902 | 0.85 | MAPT (0.61) | MEN1KMT2AMAPTALDH1A1KDM4E | |
| SCHEMBL27559226 | 0.80 | ACHE (0.62) | MEN1KMT2AMAPTALDH1A1KDM4E | |
| SCHEMBL11543435 | 0.78 | MAPT (0.53) | MEN1KMT2AMAPTALDH1A1KDM4E | |
| SCHEMBL7416707 | 0.78 | TEAD4 (0.58) | MEN1KMT2AMAPTALDH1A1TDP1 | |
| Biphenyl SCHEMBL185563 | 0.78 | LMNA (0.56) | MEN1KMT2AMAPTALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL4381857 | 0.77 | ALDH1A1 (0.59) | MEN1KMT2AMAPTALDH1A1TDP1 |
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 |