Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13345383 | 0.83 | GAA (0.38) | TAAR1GAAKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL14140079 | 0.79 | GABRA1 (0.41) | TAAR1KDM4EALDH1A1SMN1; SMN2HTT | |
| SCHEMBL24685480 | 0.78 | L3MBTL1 (0.46) | KDM4EALDH1A1SMN1; SMN2ACHE | |
| SCHEMBL7701701 | 0.75 | TAAR1 (0.52) | TAAR1GAAKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5205493 | 0.75 | TAAR1 (0.46) | TAAR1GAAKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL13151496 | 0.74 | CES2 (0.32) | CES2CES1 | |
| SCHEMBL13615074 | 0.73 | TAAR1 (0.44) | TAAR1GAAKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6206211 | 0.72 | TAAR1 (0.45) | TAAR1GAAKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL121801 | 0.71 | TAAR1 (0.43) | TAAR1GAAKDM4EALDH1A1SMN1; SMN2 | |
| Bromide SCHEMBL580313 | 0.71 | TAAR1 (0.43) | TAAR1GAAKDM4EALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021023143-A1 | METHOD FOR PREPARING PHARMACEUTICAL INTERMEDIATE OF RELUGOLIX | 苏州鹏旭医药科技有限公司 | 2021-02-11 | — | — | WO | disclosed |
| WO-2011062437-A2 | GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 에스케이케미칼주식회사 (KR) | 2011-05-26 | — | — | WO | disclosed |
| EP-2261218-A2 | Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles | Eisai R&D Management Co., Ltd. (JP) | 2010-12-15 | — | — | EP | disclosed |