Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 9/20 | 0.82 |
| ▸ | HTR1D | P28221 | 9/20 | 0.82 |
| ▸ | HTR1B | P28222 | 7/20 | 0.82 |
| ▸ | HTR2C | P28335 | 5/20 | 0.82 |
| ▸ | HTR2A | P28223 | 3/20 | 0.82 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.82 |
| ▸ | HRH1 | P35367 | 1/20 | 0.82 |
| ▸ | HTR2B | P41595 | 1/20 | 0.82 |
| ▸ | MPO | P05164 | 1/20 | 0.55 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942953 | 0.94 | HTR1D (0.75) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Rizatriptan SCHEMBL29407208 | 0.90 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Rizatriptan SCHEMBL26662 | 0.90 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Rizatriptan SCHEMBL12802834 | 0.90 | HTR1A (1.00) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Rizatriptan SCHEMBL28815652 | 0.89 | HTR1A (0.98) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| SCHEMBL13112624 | 0.89 | HTR1A (0.77) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Oxalic Acid SCHEMBL8116236 | 0.87 | HTR1D (0.66) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| SCHEMBL6643961 | 0.86 | HTR1A (0.73) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Rizatriptan SCHEMBL28840728 | 0.84 | HTR1A (0.88) | HTR1AHTR1DHTR1BHTR2CHTR2A | |
| Rizatriptan SCHEMBL2231061 | 0.84 | HTR1A (0.88) | HTR1AHTR1DHTR1BHTR2CHTR2A |
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 9 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-0925302-A1 | PALLADIUM CATALYZED INDOLIZATION | Merck & Co., Inc. (US) | 1999-06-30 | — | — | EP | claimed |
| US-5808064-A | HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE | MERCK & CO., INC. (US) | 1998-09-15 | — | — | US | claimed |
| WO-1998006725-A1 | PALLADIUM CATALYZED INDOLIZATION | MERCK & CO., INC. (US) | 1998-02-19 | — | — | WO | claimed |
| US-5567824-A | CATALYZING THE CYCLIZATION IN PRESENCE OF A SOLVENT AND A PROTON ACCEPTOR | MERCK & CO., INC. (US) | 1996-10-22 | — | — | US | claimed |
| EP-0763032-B1 | PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE | MERCK & CO INC (US) | 2003-10-15 | — | — | EP | disclosed |
| EP-0925302-B1 | PALLADIUM CATALYZED INDOLIZATION | MERCK & CO INC (US) | 2002-11-20 | — | — | EP | disclosed |
| US-5808064-A | HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE | MERCK & CO., INC. (US) | 1998-09-15 | — | — | US | disclosed |
| US-5567824-A | CATALYZING THE CYCLIZATION IN PRESENCE OF A SOLVENT AND A PROTON ACCEPTOR | MERCK & CO., INC. (US) | 1996-10-22 | — | — | US | disclosed |