Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23453429 | 0.93 | HRH1 (0.52) | HRH1CYP2C19CYP2D6CYP2C9RECQL | |
| Hydrochloric Acid SCHEMBL11412762 | 0.87 | UHRF1 (0.48) | LMNAKDM4E | |
| Hydrochloric Acid SCHEMBL10858865 | 0.83 | UHRF1 (0.48) | HRH1LMNAKDM4E | |
| SCHEMBL231470 | 0.82 | HRH1 (0.69) | HRH1CYP2C19CYP2D6HRH3HRH4 | |
| SCHEMBL29485637 | 0.82 | HRH1 (0.69) | HRH1CYP2C19CYP2D6HRH3HRH4 | |
| SCHEMBL19135529 | 0.81 | HRH3 (0.47) | HRH1CYP2C19CYP2D6CYP2C9RECQL | |
| SCHEMBL22300397 | 0.81 | TDP1 (0.51) | HRH1CYP2C19CYP2D6CYP2C9RECQL | |
| Hydrochloric Acid SCHEMBL29638137 | 0.80 | HRH1 (0.67) | HRH1CYP2C19CYP2D6HRH3HRH4 | |
| SCHEMBL5961501 | 0.80 | HRH1 (0.67) | HRH1CYP2C19CYP2D6HRH3HRH4 | |
| Hydrochloric Acid SCHEMBL841530 | 0.80 | HRH1 (0.67) | HRH1CYP2C19CYP2D6HRH3HRH4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220389135-A1 | NON-THIOL NITROGEN BASED HYDROPHOBIC POLYMER BRUSH MATERIALS AND USE THEREOF FOR MODIFICATION OF SUBSTRATE SURFACES | MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) | 2022-12-08 | — | — | US | disclosed |