Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | MGAM | O43451 | 1/20 | 0.58 |
| ▸ | SI | P14410 | 1/20 | 0.58 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.58 |
| ▸ | PPID | Q08752 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL27833809 | 0.91 | GAA (0.47) | GAAMGAMSIMGAM2PPID | |
| Ethyl Propionate SCHEMBL27460954 | 0.89 | MEN1 (0.49) | GAAPPIDMEN1MAPTKMT2A | |
| Fluorobenzene SCHEMBL27595608 | 0.87 | MAPT (0.47) | GAAPPIDMEN1MAPTKMT2A | |
| Malonic Acid Diethyl Ester SCHEMBL27443959 | 0.85 | MGAM (0.58) | GAAMGAMSIMGAM2PPID | |
| Fluorobenzene SCHEMBL28152955 | 0.82 | ALDH1A1 (0.56) | GAAMEN1MAPTKMT2ACYP1A2 | |
| Malonic Acid Diethyl Ester SCHEMBL6129174 | 0.82 | GAA (0.60) | GAAMGAMSIMGAM2PPID | |
| Fluorobenzene SCHEMBL28191431 | 0.82 | MAPT (0.47) | PPIDMEN1MAPTKMT2ACYP1A2 | |
| Ethyl Propionate SCHEMBL27432348 | 0.82 | MAPT (0.47) | GAAPPIDMEN1MAPTKMT2A | |
| Fluorobenzene SCHEMBL28321493 | 0.81 | GAA (0.53) | GAAMEN1MAPTKMT2ACYP1A2 | |
| Fluorobenzene SCHEMBL27916154 | 0.81 | ALOX15 (0.58) | GAAMEN1MAPTKMT2ACYP1A2 |
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-104892528-A | A preparing method of 2-thiobarbituric acid derivatives | UNIV SHANGHAI ENG SCIENCE | 2015-09-09 | — | — | CN | disclosed |