Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 14/20 | 0.75 |
| ▸ | HTR2C | P28335 | 11/20 | 0.75 |
| ▸ | HTR1D | P28221 | 3/20 | 0.68 |
| ▸ | HTR1B | P28222 | 3/20 | 0.68 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.68 |
| ▸ | HTR2A | P28223 | 1/20 | 0.68 |
| ▸ | HRH1 | P35367 | 1/20 | 0.68 |
| ▸ | HTR2B | P41595 | 1/20 | 0.68 |
| ▸ | HTR5A | P47898 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6939216 | 0.93 | HTR1A (0.65) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL6946024 | 0.89 | HTR1A (0.60) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL6941388 | 0.87 | HTR1A (0.58) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL6943873 | 0.86 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL8783869 | 0.83 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL7481572 | 0.83 | HTR2C (0.55) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| Rizatriptan SCHEMBL26662 | 0.81 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| SCHEMBL8784534 | 0.81 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| Rizatriptan SCHEMBL29407208 | 0.81 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BADRA2C | |
| Rizatriptan SCHEMBL12802834 | 0.81 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1BADRA2C |
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 11 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 |
| EP-0925302-A1 | PALLADIUM CATALYZED INDOLIZATION | Merck & Co., Inc. (US) | 1999-06-30 | — | — | EP | disclosed |
| US-5808064-A | HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE | MERCK & CO., INC. (US) | 1998-09-15 | — | — | US | disclosed |
| WO-1998006725-A1 | PALLADIUM CATALYZED INDOLIZATION | MERCK & CO., INC. (US) | 1998-02-19 | — | — | WO | 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 |