Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 16/20 | 0.54 |
| ▸ | CES1 | P23141 | 15/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23441147 | 0.81 | ALDH1A1 (0.48) | RAB9ATSHRLMNAMAPTATM | |
| SCHEMBL27770363 | 0.80 | CES2 (0.53) | CES2CES1RAB9ATSHRSMN1; SMN2 | |
| SCHEMBL17054654 | 0.77 | CES2 (0.54) | CES2CES1RAB9ATSHRLMNA | |
| SCHEMBL503607 | 0.74 | TAS1R3 (0.47) | SMN1; SMN2 | |
| SCHEMBL27801278 | 0.74 | CES2 (0.74) | CES2CES1RAB9ACYP1A2CYP3A4 | |
| Benzil SCHEMBL4832229 | 0.73 | CES2 (0.88) | CES2CES1RAB9ADAOTSHR | |
| Benzil SCHEMBL27655380 | 0.73 | CES2 (0.88) | CES2CES1RAB9ADAOTSHR | |
| Benzil SCHEMBL9517636 | 0.73 | CES2 (1.00) | CES2CES1RAB9ADAOTSHR | |
| Benzil SCHEMBL7142843 | 0.73 | CES2 (1.00) | CES2CES1RAB9ADAOTSHR | |
| Benzil SCHEMBL28475956 | 0.73 | CES2 (1.00) | CES2CES1RAB9ADAOTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101516878-A | Thiadiazole compound and use thereof | SUMITOMO CHEMICAL CO (JP) | 2009-08-26 | — | — | CN | disclosed |
| EP-2061789-A2 | THIADIAZOLE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008032858-A2 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-03-20 | — | — | WO | disclosed |