Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30505689 | 0.84 | CYP2C9 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19HTT | |
| SCHEMBL7797344 | 0.79 | CYP2C9 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL862369 | 0.78 | — | — | |
| SCHEMBL10385967 | 0.76 | CYP2C9 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19HTT | |
| SCHEMBL15274411 | 0.76 | CYP2C9 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19DPP4 | |
| SCHEMBL648491 | 0.76 | IDO1 (0.44) | HTTRAB9ANPC1TSHRTAAR1 | |
| SCHEMBL8398705 | 0.76 | POLB (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19HTT | |
| SCHEMBL27795329 | 0.76 | CYP2C9 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19HTT | |
| SCHEMBL28226695 | 0.73 | TAAR1 (0.62) | CYP2C9LMNATSHRTAAR1ADRA1D | |
| SCHEMBL9024874 | 0.72 | HPGD (0.54) | CYP2C9RAB9ANPC1L3MBTL1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4914127-A | HYDROXYMETHYLGLUTARIC ACID-COENZYME A REDUCTASE INHIBITORS | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-04-03 | — | — | US | disclosed |
| EP-0217092-A2 | 3-Dimethyl-mevalonic-acid derivatives, process for their preparation, pharmaceutical compositions based on these compounds, their use and intermediates | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |