Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8209499 | 1.00 | NPC1 (0.35) | NPC1TP53HPGDRAB9AGNAI3 | |
| SCHEMBL13415964 | 0.74 | NPC1 (0.34) | NPC1TP53HPGDRAB9AGNAI3 | |
| SCHEMBL13415993 | 0.74 | NPC1 (0.34) | NPC1TP53HPGDRAB9AGNAI3 | |
| SCHEMBL4902016 | 0.71 | GNAI3 (0.47) | NPC1TP53HPGDRAB9AGNAI3 | |
| SCHEMBL19604922 | 0.71 | GNAI3 (0.47) | NPC1TP53HPGDRAB9AGNAI3 | |
| SCHEMBL8217836 | 0.69 | LTA4H (0.38) | HRH3THRATHRBHRH2HRH1 | |
| SCHEMBL19176320 | 0.68 | NPC1 (0.45) | NPC1TP53HPGDRAB9AGNAI3 | |
| SCHEMBL8216721 | 0.68 | ALDH1A1 (0.45) | HRH3THRATHRB | |
| SCHEMBL23471047 | 0.67 | GNAI3 (0.50) | NPC1TP53HPGDRAB9AGNAI3 | |
| SCHEMBL8217438 | 0.67 | SMN1; SMN2 (0.35) | NPC1TP53HPGDRAB9AGNAI3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008015266-A1 | SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-02-07 | — | — | WO | disclosed |