Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6600737 | 0.93 | NPSR1 (0.54) | TSHRNPSR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7647347 | 0.88 | ALDH1A1 (0.42) | MAPK1ALDH1A1POLBKMT2AMEN1 | |
| SCHEMBL6601909 | 0.88 | MAPT (0.52) | TSHRNPSR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6601043 | 0.87 | TSHR (0.49) | TSHRNPSR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7645940 | 0.87 | ALDH1A1 (0.46) | ALDH1A1POLB | |
| SCHEMBL6605449 | 0.86 | ALDH1A1 (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL6600745 | 0.86 | MAOB (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6605509 | 0.86 | ABL1 (0.50) | MAPK1ALDH1A1POLBSMN1; SMN2KMT2A | |
| SCHEMBL6606068 | 0.85 | HTT (0.46) | TSHRNPSR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6602107 | 0.85 | NPC1 (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0922036-B1 | ARYLALKANOYL PYRIDAZINES | MERCK PATENT GMBH (DE) | 2004-03-24 | — | — | EP | disclosed |
| US-6479494-B1 | THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2002-11-12 | — | — | US | disclosed |
| US-6107295-A | Arylalkanoyl pyridazines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-08-22 | — | — | US | disclosed |
| EP-0922036-A1 | ARYLALKANOYL PYRIDAZINES | MERCK PATENT GmbH (DE) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998006704-A1 | ARYLALKANOYL PYRIDAZINES | MERCK PATENT GMBH (DE) | 1998-02-19 | — | — | WO | disclosed |