Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.79 |
| ▸ | HTR2C | P28335 | 5/20 | 0.79 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HTR1D | P28221 | 2/20 | 0.51 |
| ▸ | HTR1B | P28222 | 2/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | SNCA | P37840 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943873 | 0.88 | HTR1A (1.00) | HTR1AHTR2CTBXAS1HTR1DHTR1B | |
| SCHEMBL6941388 | 0.85 | HTR1A (0.58) | HTR1AHTR2CMEN1KMT2AHTR1D | |
| SCHEMBL7076434 | 0.83 | HTR1A (0.82) | HTR1AHTR2CTBXAS1CYP19A1MEN1 | |
| SCHEMBL7480332 | 0.82 | HTR2C (0.73) | HTR1AHTR2CTBXAS1CYP19A1MEN1 | |
| SCHEMBL27374776 | 0.81 | HTR1A (0.75) | HTR1AHTR2CTBXAS1CYP19A1MEN1 | |
| SCHEMBL7478876 | 0.80 | HTR1A (0.71) | HTR1AHTR2CTBXAS1CYP19A1MEN1 | |
| SCHEMBL6943909 | 0.79 | HTR1A (0.79) | HTR1AHTR2CMEN1KMT2AHTR1D | |
| SCHEMBL11488027 | 0.78 | TBXAS1 (0.67) | HTR1AHTR2CTBXAS1CYP19A1MEN1 | |
| SCHEMBL11488802 | 0.76 | TBXAS1 (0.72) | HTR1AHTR2CTBXAS1CYP19A1MEN1 | |
| SCHEMBL3029512 | 0.75 | HTR1A (0.73) | HTR1AHTR2CMEN1KMT2AHTR1D |
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 16 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 |
| CN-1322725-A | Indole derivant | MERCK & CO INC (US) | 2001-11-21 | — | — | CN | claimed |
| CN-1228094-A | Palladium catalyzed indolization | MERCK & CO INC (US) | 1999-09-08 | — | — | CN | claimed |
| EP-0925302-A1 | PALLADIUM CATALYZED INDOLIZATION | Merck & Co., Inc. (US) | 1999-06-30 | — | — | EP | claimed |
| WO-1998006725-A1 | PALLADIUM CATALYZED INDOLIZATION | MERCK & CO., INC. (US) | 1998-02-19 | — | — | WO | claimed |
| CN-1152920-A | Palladium-Catalyzed Ring Closure of Triazolyl Tryptamine | MERCK & CO INC (US) | 1997-06-25 | — | — | CN | 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 |
| CN-1157390-C | Indole derivant | — | 2004-07-14 | — | — | CN | disclosed |
| 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 |
| CN-1084751-C | Palladium catalyzed indolization | MERCK & CO INC (US) | 2002-05-15 | — | — | CN | disclosed |
| CN-1077104-C | Palladium-Catalyzed Ring Closure of Triazolyl Tryptamine | MERCK & CO INC (US) | 2002-01-02 | — | — | CN | disclosed |
| CN-1322725-A | Indole derivant | MERCK & CO INC (US) | 2001-11-21 | — | — | CN | disclosed |
| CN-1228094-A | Palladium catalyzed indolization | MERCK & CO INC (US) | 1999-09-08 | — | — | CN | disclosed |
| CN-1152920-A | Palladium-Catalyzed Ring Closure of Triazolyl Tryptamine | MERCK & CO INC (US) | 1997-06-25 | — | — | CN | 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 |