Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.46 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4607453 | 1.00 | MAOA (0.46) | MAOAMAOBPTGS1PTGS2DAO | |
| SCHEMBL77016 | 0.85 | MAPK1 (0.56) | MAOAMAOBPTGS1PTGS2DAO | |
| SCHEMBL77017 | 0.85 | MAPK1 (0.56) | MAOAMAOBPTGS1PTGS2DAO | |
| SCHEMBL9520373 | 0.81 | MAOA (0.51) | MAOAMAOBPTGS1PTGS2DAO | |
| SCHEMBL9520363 | 0.81 | MAOA (0.51) | MAOAMAOBPTGS1PTGS2DAO | |
| SCHEMBL17157652 | 0.78 | DAO (0.42) | DAOKMT2AMAPK1ALDH1A1KDM4E | |
| SCHEMBL17157651 | 0.78 | DAO (0.42) | DAOKMT2AMAPK1ALDH1A1KDM4E | |
| SCHEMBL3516804 | 0.75 | MAOA (0.47) | MAOAMAOBPTGS1PTGS2DAO | |
| SCHEMBL4387123 | 0.75 | MAOA (0.53) | MAOAMAOBPTGS1PTGS2KMT2A | |
| SCHEMBL4387119 | 0.75 | MAOA (0.53) | MAOAMAOBPTGS1PTGS2KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1946777-A1 | Substituted pyrazoline for preventing weight gain | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| EP-1946777-A1 | Substituted pyrazoline for preventing weight gain | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| EP-1946778-A1 | Active substance combination for the treatment of diabetes | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| EP-1946778-A1 | Active substance combination for the treatment of diabetes | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007009690-A1 | HETEROCYCLYL-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A (ES) | 2007-01-25 | — | — | WO | disclosed |
| WO-2007009690-A1 | HETEROCYCLYL-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A (ES) | 2007-01-25 | — | — | WO | disclosed |
| EP-1743894-A1 | Heterocyclyl-substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-17 | — | — | EP | disclosed |
| EP-1743894-A1 | Heterocyclyl-substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-17 | — | — | EP | disclosed |