Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL9538584 | 0.72 | CHRNA7 (0.35) | OPRM1 | |
| SCHEMBL10861780 | 0.70 | ORAI1 (0.33) | OPRM1 | |
| SCHEMBL9466644 | 0.67 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1ALOX5 | |
| Succinic Acid Diethyl Ester SCHEMBL27940678 | 0.67 | SMN1; SMN2 (0.62) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1PTPN1 | |
| SCHEMBL9811527 | 0.67 | FDPS (0.41) | — | |
| Hydrochloric Acid SCHEMBL29086676 | 0.66 | SMN1; SMN2 (0.49) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1ALOX5 | |
| SCHEMBL8925780 | 0.66 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1ALOX5 | |
| Bromide SCHEMBL10944555 | 0.66 | SMN1; SMN2 (0.49) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1ALOX5 | |
| Ethyl Benzoate SCHEMBL28795913 | 0.65 | SMN1; SMN2 (0.58) | OPRM1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL63753 | 0.65 | CYP4F2 (0.50) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1ALOX5 |
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-1077942-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |