Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 8/20 | 0.34 |
| ▸ | MAOA | P21397 | 7/20 | 0.34 |
| ▸ | KDM1A | O60341 | 5/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL28066085 | 0.79 | TSHR (0.36) | TSHRCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL27716177 | 0.79 | TSHR (0.52) | TSHRMAOBHTR1AADRA2ASLC6A2 | |
| SCHEMBL28181121 | 0.77 | EPHX1 (0.41) | TSHRCYP2C19MAOBMAOAKDM1A | |
| SCHEMBL28148902 | 0.74 | TSHR (0.45) | TSHRCYP2C19MEN1KMT2AMAPT | |
| SCHEMBL27384719 | 0.70 | TSHR (0.50) | TSHRCYP2C19MEN1KMT2AMAOB | |
| SCHEMBL27696288 | 0.69 | EPHX1 (0.35) | TSHRCYP2C19MEN1KMT2ACYP2D6 | |
| SCHEMBL28576105 | 0.69 | TSHR (0.44) | TSHRMAOBSLC6A2SLC6A3HSD17B10 | |
| SCHEMBL28066086 | 0.69 | TSHR (0.44) | TSHRMAOBSLC6A2SLC6A3HSD17B10 | |
| SCHEMBL28574468 | 0.69 | TSHR (0.44) | TSHRMAOBSLC6A2SLC6A3HSD17B10 | |
| SCHEMBL27968071 | 0.68 | TSHR (0.38) | TSHRMAPTHPGD |
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-105580189-A | Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same | MITSUBISHI CHEM CORP | 2016-05-11 | — | — | CN | disclosed |