Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | NQO2 | P16083 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21457257 | 0.88 | ESR1 (0.51) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL28656274 | 0.87 | LMNA (0.53) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL21457167 | 0.82 | NQO2 (0.43) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL1041414 | 0.80 | ESR1 (0.50) | ESR1ALDH1A1NQO2SMN1; SMN2LMNA | |
| SCHEMBL8361911 | 0.80 | PDE4B (0.49) | TSHRALDH1A1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL27556267 | 0.80 | NQO2 (0.47) | ESR1TSHRALDH1A1NQO2SMN1; SMN2 | |
| SCHEMBL28664838 | 0.79 | ELANE (0.42) | ALDH1A1SLC6A2TDP1SMN1; SMN2LMNA | |
| SCHEMBL27714568 | 0.79 | ESR1 (0.51) | ESR1ALDH1A1NQO2SMN1; SMN2LMNA | |
| SCHEMBL10974068 | 0.78 | SMN1; SMN2 (0.47) | ALDH1A1TDP1SMN1; SMN2LMNACYP1A2 | |
| SCHEMBL3268408 | 0.78 | THRB (0.43) | ESR1TSHRTDP1SMN1; SMN2LMNA |
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-113588771-B | Application of novel mixed matrix in MALDI-MS bacteria identification | 吉林大学 | 2022-08-23 | — | — | CN | disclosed |