Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA2 | P47869 | 10/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 10/20 | 0.45 |
| ▸ | CNR1 | P21554 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4604690 | 0.90 | EGFR (0.44) | GABRA2GABRB2CNR1CNR2EGFR | |
| SCHEMBL4606992 | 0.89 | CNR1 (0.45) | GABRA2GABRB2CNR1CNR2EGFR | |
| SCHEMBL4604310 | 0.88 | GABRA2 (0.46) | GABRA2GABRB2CNR1CNR2EGFR | |
| SCHEMBL4606276 | 0.85 | CNR1 (0.46) | GABRA2GABRB2CNR1CNR2 | |
| SCHEMBL2020509 | 0.83 | GABRA2 (0.52) | GABRA2GABRB2CNR1CNR2EGFR | |
| SCHEMBL4605560 | 0.83 | CNR1 (0.40) | CNR1CNR2 | |
| SCHEMBL2020050 | 0.83 | CNR1 (0.57) | GABRA2GABRB2CNR1CNR2EGFR | |
| SCHEMBL31588918 | 0.83 | CNR1 (0.57) | GABRA2GABRB2CNR1CNR2EGFR | |
| SCHEMBL8466368 | 0.83 | CNR1 (0.57) | GABRA2GABRB2CNR1CNR2EGFR | |
| SCHEMBL31429978 | 0.81 | ALDH1A1 (0.57) | GABRA2GABRB2CNR1CNR2EGFR |
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 | claimed |
| EP-1946778-A1 | Active substance combination for the treatment of diabetes | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | claimed |
| EP-1743894-A1 | Heterocyclyl-substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-17 | — | — | EP | claimed |
| 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 |
| 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 |