Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 4/20 | 0.39 |
| ▸ | MMP3 | P08254 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17275467 | 1.00 | TSHR (0.45) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL531663 | 0.82 | MEN1 (0.51) | KMT2AALDH1A1MEN1MMP1MMP3 | |
| SCHEMBL4369852 | 0.80 | TSHR (0.43) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL26989268 | 0.80 | TSHR (0.46) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL26988083 | 0.80 | TSHR (0.46) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL26988540 | 0.80 | TSHR (0.46) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL428101 | 0.80 | TSHR (0.46) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL26987985 | 0.80 | TSHR (0.46) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL2565075 | 0.78 | ALDH1A1 (0.50) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL5872219 | 0.78 | TSHR (0.44) | TSHRKMT2AGAANPBWR1NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106661084-B | Macrocyclic broad spectrum antibiotics | 阿奇克斯制药公司 | 2021-08-31 | — | — | CN | disclosed |
| CN-106661084-A | Macrocyclic broad spectrum antibiotics | 阿奇克斯制药公司 | 2017-05-10 | — | — | CN | disclosed |