Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | SI | P14410 | 1/20 | 0.47 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.47 |
| ▸ | PPID | Q08752 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Malonic Acid Diethyl Ester SCHEMBL28030450 | 0.91 | GAA (0.58) | GAAMGAMSIMGAM2PPID | |
| Toluene SCHEMBL8882403 | 0.86 | GAA (0.50) | GAAMGAMSIMGAM2PPID | |
| Phenol SCHEMBL27983651 | 0.84 | GAA (0.49) | GAAMGAMSIMGAM2PPID | |
| SCHEMBL28365014 | 0.84 | GAA (0.48) | GAAMGAMSIMGAM2PPID | |
| Ethyl Propionate SCHEMBL27460954 | 0.84 | MEN1 (0.49) | GAAPPIDMAPTMEN1KMT2A | |
| Benzene SCHEMBL28270557 | 0.83 | GAA (0.61) | GAAMGAMSIMGAM2PPID | |
| Benzoic Acid SCHEMBL11314023 | 0.83 | DAO (0.48) | GAAMGAMSIMGAM2PPID | |
| Chlorobenzene SCHEMBL28265424 | 0.83 | SMN1; SMN2 (0.47) | GAAMGAMSIMGAM2PPID | |
| Fluorobenzene SCHEMBL27595608 | 0.82 | MAPT (0.47) | GAAPPIDMAPTMEN1KMT2A | |
| Fluorobenzene SCHEMBL28152955 | 0.82 | ALDH1A1 (0.56) | GAAMAPTMEN1KMT2ACYP1A2 |
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-102064343-A | Novel lithium ion battery electrolyte | DONGGUAN SHANSHAN BATTERY MATERIALS CO LTD | 2011-05-18 | — | — | CN | claimed |
| CN-108997242-A | Substituted phenyl pyrazole quinoline ketone derivatives and preparation and application | 浙江大学 | 2018-12-14 | — | — | CN | disclosed |