Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.55 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9011773 | 0.83 | ESR1 (0.50) | CHRM2SMN1; SMN2ADORA3CHRM1ADRA2B | |
| SCHEMBL921443 | 0.82 | LTA4H (0.43) | S1PR1S1PR3LTA4HCHRM2SMN1; SMN2 | |
| SCHEMBL919861 | 0.79 | THRB (0.43) | LTA4HALDH1A1LMNA | |
| SCHEMBL16892534 | 0.78 | SIGMAR1 (0.56) | SIGMAR1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL16892525 | 0.78 | SIGMAR1 (0.56) | SIGMAR1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL580383 | 0.77 | ADRB2 (0.51) | SIGMAR1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL579438 | 0.76 | ADRB2 (0.50) | SIGMAR1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL16892602 | 0.74 | SIGMAR1 (0.50) | SIGMAR1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL5316000 | 0.73 | KMT2A (0.53) | S1PR2S1PR1S1PR3LTA4HDRD3 | |
| SCHEMBL475118 | 0.73 | ALDH1A1 (0.57) | LTA4HCHRM2SMN1; SMN2ADORA3CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1735268-B1 | OPIOID RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2012-02-15 | — | — | EP | claimed |