Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 7/20 | 0.41 |
| ▸ | HRH2 | P25021 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28298905 | 0.92 | CYP2D6 (0.46) | HRH3HRH4CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL310787 | 0.79 | CYP3A4 (0.42) | HRH3HRH4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30945055 | 0.79 | CYP3A4 (0.42) | HRH3HRH4CYP3A4CYP2D6CYP2C9 | |
| Acetamide SCHEMBL9934071 | 0.75 | CCNC (0.37) | HRH3CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15880175 | 0.74 | CYP3A4 (0.39) | HRH3HRH4CYP3A4CYP2D6CYP2C9 | |
| Formaldoxime SCHEMBL4910460 | 0.71 | CYP3A4 (0.37) | HRH3HRH4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28300278 | 0.66 | DNM1 (0.52) | HRH3HRH4DNM1 | |
| Pyrazine SCHEMBL28063045 | 0.65 | DNM1 (0.63) | HRH1DNM1 | |
| Pyrazine SCHEMBL2972134 | 0.63 | DNM1 (0.60) | HRH1DNM1 | |
| Hydrochloric Acid SCHEMBL29727504 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109789142-A | Synthesis of N- (heteroaryl) -pyrrolo [3,2-D ] pyrimidin-2-amines | G1治疗公司 | 2019-05-21 | — | — | CN | disclosed |