Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6602818 | 1.00 | TACR1 (0.58) | TACR1HTR1ATP53CYP1A2CYP3A4 | |
| SCHEMBL1637420 | 0.90 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7964713 | 0.90 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9035327 | 0.90 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1532499 | 0.90 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7029562 | 0.89 | TACR1 (0.69) | TACR1HTR1ATP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL28339135 | 0.89 | TACR1 (0.63) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9052518 | 0.88 | TACR1 (0.59) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9052513 | 0.88 | TACR1 (0.59) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9053585 | 0.86 | TACR1 (0.56) | TACR1TP53CYP1A2CYP3A4CYP2D6 |
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 |