Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LDHA | P00338 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16383175 | 0.82 | SLC6A4 (0.69) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL104850 | 0.82 | SLC6A4 (0.69) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL1253009 | 0.81 | LDHA (0.58) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| Ammonia Solution, Strong SCHEMBL8170665 | 0.80 | SLC6A4 (0.67) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL8305205 | 0.79 | CYP1A2 (0.61) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL24630912 | 0.78 | SLC6A4 (0.64) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL20002966 | 0.78 | SLC6A4 (0.64) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| Para-Methoxyamphetamine SCHEMBL264634 | 0.78 | SLC6A4 (1.00) | SLC6A4CYP1A2CYP2D6CYP2C19TAAR1 | |
| SCHEMBL2666118 | 0.78 | SLC6A4 (0.64) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL721008 | 0.78 | SLC6A4 (0.64) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA |
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 7 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-A9 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | LILLY CO ELI (US) | 2004-05-13 | — | — | WO | disclosed |
| WO-2004026305-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | WO | disclosed |
| EP-0193813-A1 | Pyridine derivatives and fungicides containing them | BASF Aktiengesellschaft (DE) | 1986-09-10 | — | — | EP | disclosed |
| US-4487772-A | CARDIOTONIC AGENTS | OTSUKA PHARMACEUTICAL CO. LTD. (JP) | 1984-12-11 | — | — | US | disclosed |
| US-4468402-A | Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-08-28 | — | — | US | disclosed |
| US-4454130-A | CARDIOTONIC, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-06-12 | — | — | US | disclosed |