Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1285411 | 1.00 | ALDH1A1 (0.51) | ALDH1A1ALOX5CXCL8CYP2C9CYP2C19 | |
| SCHEMBL6894430 | 1.00 | ALDH1A1 (0.51) | ALDH1A1ALOX5CXCL8CYP2C9CYP2C19 | |
| SCHEMBL9560093 | 1.00 | ALDH1A1 (0.51) | ALDH1A1ALOX5CXCL8CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9560322 | 0.98 | ALDH1A1 (0.50) | ALDH1A1ALOX5CXCL8CYP2C9CYP2C19 | |
| SCHEMBL17782926 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL15641295 | 0.83 | AKR1B1 (0.51) | ALDH1A1ALOX5CXCL8CYP2C9CYP2C19 | |
| SCHEMBL1566758 | 0.83 | ALDH1A1 (0.48) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28241058 | 0.83 | ALDH1A1 (0.48) | ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL448107 | 0.83 | AKR1B1 (0.51) | ALDH1A1ALOX5CXCL8CYP2C9CYP2C19 | |
| SCHEMBL8120419 | 0.83 | AKR1B1 (0.51) | ALDH1A1ALOX5CXCL8CYP2C9CYP2C19 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109456201-B | Method for asymmetrically synthesizing (R) -cinacalcet | 中国农业大学 | 2020-04-28 | — | — | CN | claimed |
| CN-109456201-A | A kind of method of asymmetric syntheses (R)-cinacalcet | 中国农业大学 | 2019-03-12 | — | — | CN | claimed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1150565-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION bioscience AG (DE) | 2001-11-07 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |
| CN-109456201-B | Method for asymmetrically synthesizing (R) -cinacalcet | 中国农业大学 | 2020-04-28 | — | — | CN | disclosed |
| CN-109456201-B | Method for asymmetrically synthesizing (R) -cinacalcet | 中国农业大学 | 2020-04-28 | — | — | CN | disclosed |
| CN-109456201-A | A kind of method of asymmetric syntheses (R)-cinacalcet | 中国农业大学 | 2019-03-12 | — | — | CN | disclosed |
| CN-109456201-A | A kind of method of asymmetric syntheses (R)-cinacalcet | 中国农业大学 | 2019-03-12 | — | — | CN | disclosed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1150565-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION bioscience AG (DE) | 2001-11-07 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |