Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.50 |
| ▸ | HTR1A | P08908 | 4/20 | 0.50 |
| ▸ | HTR1D | P28221 | 14/20 | 0.49 |
| ▸ | HTR1B | P28222 | 12/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.43 |
| ▸ | GABRE | P78334 | 1/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7480727 | 0.79 | HTR1D (0.70) | HTR2CHTR1DHTR1B | |
| SCHEMBL7476241 | 0.79 | HTR1A (0.52) | HTR2CHTR1AHTR1DHTR1BCYP2D6 | |
| SCHEMBL4579559 | 0.72 | HTR1D (0.54) | HTR2CHTR1AHTR1DHTR1BCYP2D6 | |
| SCHEMBL4346229 | 0.72 | HTR2C (0.72) | HTR2CHTR1AHTR1DHTR1BCYP2D6 | |
| SCHEMBL2831695 | 0.72 | HTR2A (0.71) | HTR2CHTR1AHTR1DHTR1BCYP2D6 | |
| SCHEMBL8058959 | 0.72 | HTR1D (0.67) | HTR1DHTR1B | |
| SCHEMBL6941552 | 0.70 | HTR1D (0.59) | HTR2CHTR1AHTR1DHTR1BGABRP | |
| SCHEMBL7481572 | 0.69 | HTR2C (0.55) | HTR2CHTR1AHTR1DHTR1BCYP2D6 | |
| SCHEMBL7472195 | 0.69 | HTR1A (0.50) | HTR2CHTR1AHTR1DHTR1BCYP2D6 | |
| SCHEMBL8781600 | 0.69 | HTR1D (0.74) | HTR1DHTR1B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0925302-B1 | PALLADIUM CATALYZED INDOLIZATION | MERCK & CO INC (US) | 2002-11-20 | — | — | EP | claimed |
| EP-0763032-A1 | PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE | MERCK & CO. INC. (US) | 1997-03-19 | — | — | EP | claimed |
| WO-1995032197-A1 | PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE | MERCK & CO., INC. (US) | 1995-11-30 | — | — | WO | claimed |
| EP-0925302-B1 | PALLADIUM CATALYZED INDOLIZATION | MERCK & CO INC (US) | 2002-11-20 | — | — | EP | disclosed |