Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9034452 | 0.91 | TACR1 (0.42) | TACR1SCN9AALDH1A1SLC6A4SLC6A2 | |
| SCHEMBL9035730 | 0.91 | TACR1 (0.54) | TACR1ALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL9035343 | 0.90 | TACR1 (0.44) | TACR1SCN9AALDH1A1SLC6A4SLC6A2 | |
| SCHEMBL9036821 | 0.88 | TACR1 (0.46) | TACR1SCN9AALDH1A1 | |
| SCHEMBL9035291 | 0.88 | TACR1 (0.43) | TACR1SCN9AALDH1A1SLC6A4SLC6A2 | |
| SCHEMBL9085050 | 0.87 | TACR1 (0.46) | TACR1SCN9AALDH1A1SLC6A4SLC6A2 | |
| SCHEMBL9035295 | 0.85 | TACR1 (0.43) | TACR1SCN9AALDH1A1SLC6A4SLC6A2 | |
| SCHEMBL9034478 | 0.85 | TACR1 (0.44) | TACR1SCN9AALDH1A1SLC6A4SLC6A2 | |
| SCHEMBL9036059 | 0.85 | TACR1 (0.41) | TACR1SCN9AALDH1A1SLC6A4SLC6A2 | |
| SCHEMBL9034350 | 0.85 | TACR1 (0.41) | TACR1SCN9AALDH1A1 |
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-0734381-A1 | MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1996-10-02 | — | — | EP | claimed |
| EP-0734381-A1 | MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1996-10-02 | — | — | EP | disclosed |