Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL28201363 | 0.93 | ADRB1 (0.52) | CYP3A4CYP2D6ADRB1TSHRMEN1 | |
| SCHEMBL20503588 | 0.80 | ADRB1 (0.60) | CYP3A4CYP2D6ADRB1TSHRMEN1 | |
| SCHEMBL18064844 | 0.79 | MGLL (0.58) | CYP2D6 | |
| SCHEMBL31411844 | 0.78 | FFAR4 (0.51) | CYP3A4ADRB1CYP2C19DPP4 | |
| SCHEMBL2935979 | 0.78 | DPP4 (0.46) | ADRB1DPP4 | |
| SCHEMBL19628038 | 0.78 | MGLL (0.48) | CYP2D6TSHR | |
| SCHEMBL28856372 | 0.77 | ADRB1 (0.56) | CYP3A4CYP2D6ADRB1TSHRMEN1 | |
| SCHEMBL19262510 | 0.77 | CYP2D6 (0.72) | CYP3A4CYP2D6ADRB1TSHRMEN1 | |
| SCHEMBL23319679 | 0.77 | TACR1 (0.41) | CHRM4TACR1 | |
| SCHEMBL28200834 | 0.76 | MGLL (0.50) | CYP2D6 |
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-107660199-A | Piperazine carbamate and its preparation and application | 阿比德治疗公司 | 2018-02-02 | — | — | CN | disclosed |