Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7004145 | 0.83 | MAOB (0.64) | MAOBMAOASIGMAR1LOXL2GFER | |
| SCHEMBL88596 | 0.83 | MAOB (0.56) | TAAR1MAOBMAOASIGMAR1LOXL2 | |
| SCHEMBL4515304 | 0.82 | LOXL2 (0.43) | TAAR1LOXL2HTR2AMPO | |
| Hydrochloric Acid SCHEMBL8746158 | 0.81 | MAOB (0.58) | TAAR1MAOBMAOASIGMAR1LOXL2 | |
| SCHEMBL234864 | 0.80 | CYP3A4 (0.53) | TAAR1SIGMAR1 | |
| SCHEMBL4221500 | 0.79 | TAAR1 (0.56) | TAAR1MAOBMAOAMPO | |
| SCHEMBL6262320 | 0.77 | TAAR1 (0.64) | TAAR1MAOBAOC3MPO | |
| SCHEMBL28918313 | 0.76 | TAAR1 (0.43) | TAAR1MAOBAOC3TRPV6HTR2A | |
| SCHEMBL14639603 | 0.76 | KDM4E (0.51) | TAAR1AOC3 | |
| SCHEMBL7470790 | 0.76 | MPO (0.65) | TAAR1MPO |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562595-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004026305-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | WO | disclosed |