Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.58 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.58 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 5/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17888382 | 0.83 | GABRD (0.57) | HPGDKMT2ANAMPTALDH1A1 | |
| SCHEMBL1914320 | 0.79 | NAMPT (0.60) | TSHRCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL19226561 | 0.79 | HPGD (0.60) | TSHRHPGDSMN1; SMN2POLBKMT2A | |
| SCHEMBL29530838 | 0.78 | HSD11B1 (0.49) | HPGDCYP2C19MAPK1POLBNAMPT | |
| SCHEMBL23070974 | 0.77 | TSHR (0.53) | TSHRHPGDCYP3A4CYP2C19USP2 | |
| SCHEMBL20631562 | 0.77 | HPGD (0.86) | TSHRHPGDDRD2DRD3POLB | |
| SCHEMBL208986 | 0.76 | HPGD (0.73) | TSHRCHRNB2CHRNB4CHRNA3CHRNA7 | |
| Piperazine SCHEMBL27980517 | 0.75 | HPGD (0.71) | TSHRCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL2534411 | 0.74 | HPGD (1.00) | TSHRHPGDDRD2DRD3SMN1; SMN2 | |
| SCHEMBL30374883 | 0.73 | GPR183 (0.77) | GPR183 |
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 |