Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | HTT | P42858 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.58 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.53 |
| ▸ | TUBB | P07437 | 3/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.53 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.53 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.53 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.53 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.53 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6437851 | 0.91 | ALDH1A1 (0.73) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL12635170 | 0.90 | TUBB4A (0.69) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL16185983 | 0.87 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL7943307 | 0.86 | ALDH1A1 (0.54) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL787550 | 0.86 | TPMT (0.69) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL30010958 | 0.86 | TPMT (0.69) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL12574135 | 0.86 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL29375569 | 0.85 | MAPK1 (0.58) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL31704508 | 0.85 | MAPT (0.62) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL29375601 | 0.85 | TSHR (0.48) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR |
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-106459062-A | Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors | 达特神经科学(开曼)有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106065010-A | For treating or prevent the compound of hyperuricemia or gout | 镇江新元素医药科技有限公司 | 2016-11-02 | — | — | CN | disclosed |
| EP-1506959-A2 | Derivatised molecules for mass spectrometry | OXFORD GENE TECHNOLOGY IP LIMITED (GB) | 2005-02-16 | — | — | EP | disclosed |