Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 9/20 | 0.51 |
| ▸ | HTR7 | P34969 | 7/20 | 0.51 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL828587 | 0.98 | TPH1 (0.55) | TPH1CYP2C19POLBCYP3A4PARP1 | |
| Hydrochloric Acid SCHEMBL27319279 | 0.95 | TPH1 (0.53) | TPH1CYP2C19POLBCYP3A4PARP1 | |
| Hydrochloric Acid SCHEMBL27296270 | 0.95 | TPH1 (0.53) | TPH1CYP2C19POLBCYP3A4PARP1 | |
| SCHEMBL5441718 | 0.85 | SLC9A1 (0.53) | TPH1MAPTHTR2BHTR7SLC9A1 | |
| Hydrochloric Acid SCHEMBL7824640 | 0.84 | SLC9A1 (0.51) | TPH1MAPTHTR2BHTR7SLC9A1 | |
| SCHEMBL17008170 | 0.82 | POLB (0.52) | CYP2C19POLBCYP3A4PARP1MAPT | |
| SCHEMBL1387930 | 0.81 | KMO (0.56) | HTR2BHTR7SLC9A1DRD2ADRA1D | |
| SCHEMBL5434684 | 0.81 | PARP10 (0.65) | TPH1HTR2BHTR7SLC9A1 | |
| SCHEMBL15336489 | 0.80 | CYP2C19 (0.50) | TPH1CYP2C19POLBCYP3A4PARP1 | |
| SCHEMBL15320289 | 0.80 | CYP2C19 (0.50) | TPH1CYP2C19POLBCYP3A4PARP1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100475813-C | 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors | MERCK FROSST CANADA INC (CA) | 2009-04-08 | — | — | CN | disclosed |
| CN-100422175-C | Tetracyclic imidazole derivatives as metabotropic glutamate receptor-5 modulators | MERCK & CO INC (US) | 2008-10-01 | — | — | CN | disclosed |
| CN-100387594-C | Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO INC (US) | 2008-05-14 | — | — | CN | disclosed |
| CN-100338061-C | Alkyne-aryl phosphodiesterase-4 inhibitors | MERCK FROSST CANADA INC (CA) | 2007-09-19 | — | — | CN | disclosed |
| CN-1933838-A | Bipyridyl amides as modulators of metabotropic glutamate receptor-5 | MERCK & CO INC (US) | 2007-03-21 | — | — | CN | disclosed |
| CN-1845915-A | Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 | MERCK & CO INC (US) | 2006-10-11 | — | — | CN | disclosed |
| CN-1795184-A | Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO INC (US) | 2006-06-28 | — | — | CN | disclosed |
| CN-1768055-A | Fourth Ring imdazole derivatives as the metabotropic glutamate receptor-5 modulator | MERCK & CO INC (US) | 2006-05-03 | — | — | CN | disclosed |
| CN-1738819-A | 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors | MERCK FROSST CANADA INC (CA) | 2006-02-22 | — | — | CN | disclosed |
| CN-1221534-C | Substituted 8-arylquinoline phosphodiesterase-4 inhibitors | MERCK FROSST CANADA INC (CA) | 2005-10-05 | — | — | CN | disclosed |
| CN-1211383-C | Process for preparing substituted 8-arylquinolinium benzenesulfonates | MERCK & CO INC (US) | 2005-07-20 | — | — | CN | disclosed |
| CN-1639161-A | Alkyne-aryl phosphodiesterase-4 inhibitors | MERCK FROSST CANADA INC (CA) | 2005-07-13 | — | — | CN | disclosed |
| CN-1483032-A | Process for preparing substituted 8-arylquinolinium benzenesulfonates | — | 2004-03-17 | — | — | CN | disclosed |
| CN-1434801-A | Substited 8-anylquinoline phosphodiesterase-4 inhibitors | MERCK FROSST CANADA INC (CA) | 2003-08-06 | — | — | CN | disclosed |