Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 4/20 | 0.50 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GPR183 | P32249 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28494646 | 0.85 | MEN1 (0.67) | TSHRHPGDGPR119ALDH1A1KMT2A | |
| SCHEMBL23071049 | 0.81 | CHRNB2 (0.63) | HPGDGPR119ALDH1A1KMT2AMEN1 | |
| SCHEMBL16874872 | 0.78 | ALDH1A1 (0.51) | GPR119ALDH1A1SMN1; SMN2KDM4EHTT | |
| SCHEMBL23071019 | 0.77 | TSHR (0.58) | TSHRHPGDCYP3A4CYP2C19USP2 | |
| SCHEMBL1394450 | 0.77 | USP2 (0.52) | HPGDUSP2GPR119SMN1; SMN2GPR183 | |
| SCHEMBL31464333 | 0.77 | GPR183 (0.47) | GPR119KMT2AMEN1POLBGPR183 | |
| SCHEMBL23381770 | 0.77 | BACE1 (0.52) | GPR119ALDH1A1SMN1; SMN2KDM4EHTT | |
| SCHEMBL25284527 | 0.76 | MEN1 (0.40) | KMT2AMEN1GPR183 | |
| SCHEMBL31004992 | 0.75 | ALDH1A1 (0.48) | GPR119ALDH1A1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL22127635 | 0.74 | MAPT (0.55) | HPGDCYP2C19GPR119ALDH1A1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112442050-B | RET inhibitor, pharmaceutical composition and application thereof | 广东东阳光药业股份有限公司 | 2024-08-09 | — | — | CN | disclosed |
| CN-112574235-B | RET inhibitor, pharmaceutical composition and application thereof | 广东东阳光药业股份有限公司 | 2024-01-16 | — | — | CN | disclosed |
| WO-2021057963-A1 | RET INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME AND USE THEREOF | 广东东阳光药业有限公司 | 2021-04-01 | — | — | WO | disclosed |
| WO-2021043209-A1 | RET INHIBITOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 广东东阳光药业有限公司 | 2021-03-11 | — | — | WO | disclosed |