Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.44 |
| ▸ | HTR3A | P46098 | 5/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| N-Mononitrosopiperazine SCHEMBL1678714 | 0.77 | — | — | |
| Toluene SCHEMBL28205212 | 0.76 | ADRB1 (0.50) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Methylpiperazine SCHEMBL27759929 | 0.76 | ADRB1 (0.50) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Toluene SCHEMBL27652388 | 0.76 | ADRB1 (0.46) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Toluene SCHEMBL11325202 | 0.75 | ACHE (0.65) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Toluene SCHEMBL5320366 | 0.75 | ACHE (0.65) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Toluene SCHEMBL8054062 | 0.74 | SIGMAR1 (0.58) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Methylpiperazine SCHEMBL27548472 | 0.72 | ADRB1 (0.46) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Toluene SCHEMBL7413470 | 0.72 | ADRB1 (0.47) | ADRB1HTR3ASIGMAR1HTR3EHTR3B | |
| Toluene SCHEMBL1115294 | 0.71 | LMNA (0.58) | ADRB1HTR3ASIGMAR1HTR3EHTR3B |
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-108026030-A | A kind of preparation method of deuterated compound | 正大天晴药业集团股份有限公司 | 2018-05-11 | — | — | CN | disclosed |