Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18032688 | 0.87 | CES1 (0.67) | CES1BCHEMAOACYP1A2HRH1 | |
| SCHEMBL7934052 | 0.84 | CES1 (0.53) | CES1BCHEMAOACYP1A2HRH1 | |
| SCHEMBL21801602 | 0.82 | MAOA (0.50) | CES1BCHEMAOACYP1A2HRH1 | |
| SCHEMBL3638469 | 0.78 | CES1 (0.67) | CES1BCHEMAOACYP1A2ALDH1A1 | |
| SCHEMBL31392106 | 0.78 | CES1 (0.67) | CES1BCHEMAOACYP1A2ALDH1A1 | |
| SCHEMBL31070117 | 0.77 | — | — | |
| SCHEMBL569873 | 0.77 | — | — | |
| SCHEMBL8035811 | 0.77 | CES1 (0.73) | CES1BCHEMAOACYP1A2ALDH1A1 | |
| SCHEMBL14441607 | 0.74 | CYP1A2 (0.67) | CES1BCHEMAOACYP1A2ALDH1A1 | |
| SCHEMBL31392781 | 0.74 | CYP1A2 (0.67) | CES1BCHEMAOACYP1A2ALDH1A1 |
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-6300376-B1 | FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY | VENANTIUS LIMITED (IR) | 2001-10-09 | — | — | US | disclosed |
| WO-1997020802-A1 | INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE | VENANTIUS LIMITED (IE) | 1997-06-12 | — | — | WO | disclosed |