Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 11/20 | 0.49 |
| ▸ | RAB9A | P51151 | 11/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1876540 | 1.00 | HPGD (0.51) | HPGDALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4283681 | 0.98 | HPGD (0.49) | HPGDALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4705235 | 0.95 | GRM5 (0.48) | HPGDALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5592779 | 0.92 | MAPK8 (0.44) | HPGDALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30332358 | 0.86 | HSD11B1 (0.47) | HPGDALDH1A1NPC1RAB9AHSD11B1 | |
| SCHEMBL3937594 | 0.86 | SMYD3 (0.52) | — | |
| SCHEMBL15416709 | 0.84 | CNR2 (0.46) | NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL30675644 | 0.84 | SMYD3 (0.53) | — | |
| Hydrochloric Acid SCHEMBL30675640 | 0.84 | SMYD3 (0.53) | — | |
| SCHEMBL8226069 | 0.82 | SIGMAR1 (0.44) | ALDH1A1HSD11B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114892-A1 | SUBSTITUTED PYRAZOLINE COMPOUNDS WITH ACAT INHIBITION ACTIVITY, THEIR PREPARATION AND USE AS MEDICAMENTS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008087030-A1 | SUBSTITUTED PYRAZOLINE COMPOUNDS WITH ACAT INHIBITION ACTIVITY, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-07-24 | — | — | WO | disclosed |