Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22627328 | 0.87 | CYP3A4 (0.48) | CYP1A1CYP1B1CYP1A2ERBB2FYN | |
| SCHEMBL30132961 | 0.85 | CYP3A4 (0.47) | CYP1A1CYP1B1CYP1A2ERBB2FYN | |
| SCHEMBL22820181 | 0.80 | CYP1A1 (0.50) | CYP1A1CYP1B1CYP1A2MAOAACHE | |
| SCHEMBL13301435 | 0.78 | MAOB (0.46) | CYP1A1CYP1B1CYP1A2MAOAMAOB | |
| SCHEMBL20699460 | 0.75 | CYP1A1 (0.42) | CYP1A1CYP1B1CYP1A2ERBB2FYN | |
| SCHEMBL19038939 | 0.75 | MAOB (0.53) | MAOAACHEMAOBHSD17B10 | |
| SCHEMBL2204213 | 0.74 | HTR1B (0.55) | CYP1A2MAOBLOXL2CYP3A4CYP2A6 | |
| SCHEMBL30000708 | 0.74 | HTR1B (0.55) | CYP1A2MAOBLOXL2CYP3A4CYP2A6 | |
| SCHEMBL19038909 | 0.73 | CYP3A4 (0.57) | MAOAMAOBLOXL2CYP3A4CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL27736316 | 0.73 | HTR1B (0.53) | CYP1A2MAOBLOXL2CYP3A4CYP2A6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11914296-B2 | Ethynyl derived composite, a composition comprising thereof, a method for manufacturing a coating by it, and a method for manufacturing a device comprising the coating | MERCK PATENT GMBH (DE) | 2024-02-27 | — | — | US | disclosed |
| US-11914296-B2 | Ethynyl derived composite, a composition comprising thereof, a method for manufacturing a coating by it, and a method for manufacturing a device comprising the coating | MERCK PATENT GMBH (DE) | 2024-02-27 | — | — | US | disclosed |
| US-20230194989-A1 | ETHYNYL DERIVED COMPOSITE, A COMPOSITION COMPRISING THEREOF, A METHOD FOR MANUFACTURING A COATING BY IT, AND A METHOD FOR MANUFACTURING A DEVICE COMPRISING THE COATING | MERCK PATENT GMBH (DE) | 2023-06-22 | — | — | US | disclosed |
| US-20200401046-A1 | AN ETHYNYL DERIVED COMPOSITE, A COMPOSITION COMPRISING THEREOF, A METHOD FOR MANUFACTURING A COATING BY IT, AND A METHOD FOR MANUFACTURING A DEVICE COMPRISING THE COATING | MERCK PATENT GMBH (DE) | 2020-12-24 | — | — | US | disclosed |