Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 8/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA4 | P22748 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 6/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9043883 | 0.81 | CA12 (0.57) | MAOBCA12CA4CA9CA1 | |
| SCHEMBL9061932 | 0.80 | CA12 (0.64) | MAOBCA12CA4CA9CA1 | |
| SCHEMBL22820259 | 0.80 | CYP1A1 (0.44) | CYP1A1CYP1B1MAOBCA12CA4 | |
| SCHEMBL9293936 | 0.79 | CA12 (0.55) | CYP1A1MAOBCA12CA4CA9 | |
| SCHEMBL9150649 | 0.76 | CA12 (0.60) | MAOBCA12CA4CA9CA1 | |
| SCHEMBL29646218 | 0.76 | CA12 (0.60) | MAOBCA12CA4CA9CA1 | |
| SCHEMBL13338101 | 0.76 | MAOB (0.59) | CYP1A1MAOBCA12CA4CA9 | |
| SCHEMBL22627328 | 0.75 | CYP3A4 (0.48) | CYP1A1CYP1B1MAOBCA12CA9 | |
| SCHEMBL3204571 | 0.75 | GSTP1 (0.52) | CYP1A1MAOBCA12CA4CA9 | |
| SCHEMBL19038910 | 0.74 | MAOB (0.44) | CYP1A1CYP1B1MAOBCA12CA4 |
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 3 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-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 |