Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 3/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.48 |
| ▸ | DRD1 | P21728 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 2/20 | 0.48 |
| ▸ | HTR3A | P46098 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7940145 | 0.84 | CES1 (0.57) | CES1BCHEHRH1HRH4DRD3 | |
| SCHEMBL18032688 | 0.83 | CES1 (0.67) | CES1BCHEHRH1HRH4DRD3 | |
| SCHEMBL8035811 | 0.74 | CES1 (0.73) | CES1BCHECYP1A2CYP2C19CYP3A4 | |
| SCHEMBL569873 | 0.74 | — | — | |
| SCHEMBL31070117 | 0.74 | — | — | |
| SCHEMBL8160719 | 0.73 | ACHE (0.70) | CES1BCHETSHRCYP1A2CYP2C19 | |
| SCHEMBL11780074 | 0.73 | CHRM2 (0.69) | HRH1HRH4DRD3LMNACHRM2 | |
| SCHEMBL11591007 | 0.72 | MAOA (0.55) | CES1BCHECYP1A2CYP2C19MAOA | |
| Fluorene SCHEMBL28524060 | 0.71 | MAOA (0.60) | CES1BCHELMNATSHRCYP1A2 | |
| SCHEMBL669542 | 0.70 | CES1 (1.00) | CES1BCHECYP1A2CYP2C19MAOA |
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-6297399-B1 | HYPOTENSIVE AGENTS | VENANTIUS LIMITED (IE) | 2001-10-02 | — | — | US | disclosed |
| WO-1997020806-A1 | INDANE COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTI-INFLAMMATORY ACTIVITY | VENANTIUS LIMITED (IE) | 1997-06-12 | — | — | WO | disclosed |