Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 5/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21530442 | 1.00 | MAP3K5 (0.43) | MAP3K5PIK3CDPIK3CBPIK3CGDRD2 | |
| SCHEMBL30845491 | 0.78 | RET (0.43) | MAP3K5NPC1RAB9A | |
| SCHEMBL21530427 | 0.78 | RET (0.43) | MAP3K5NPC1RAB9A | |
| SCHEMBL21530453 | 0.76 | MAP3K5 (0.51) | MAP3K5PIK3CDPIK3CBPIK3CGNPC1 | |
| SCHEMBL30845489 | 0.76 | MAP3K5 (0.51) | MAP3K5PIK3CDPIK3CBPIK3CGNPC1 | |
| SCHEMBL21834025 | 0.71 | DRD2 (0.47) | DRD2DRD4DRD3CHRNB2CHRNA4 | |
| SCHEMBL17203304 | 0.68 | DRD2 (0.39) | PIK3CDPIK3CBPIK3CGDRD2DRD4 | |
| SCHEMBL17203642 | 0.66 | PIK3CD (0.44) | PIK3CDPIK3CBPIK3CGDRD2DRD4 | |
| SCHEMBL11849424 | 0.65 | NPC1 (0.39) | MAP3K5PIK3CDDRD2DRD4DRD3 | |
| SCHEMBL3155325 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112312905-B | Tetrazole-containing inhibitors of apoptosis signal-regulating kinase 1 and methods of use thereof | 英安塔制药有限公司 | 2024-03-15 | — | — | CN | disclosed |