Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PRKCB | P05771 | 1/20 | 0.32 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | KHK | P50053 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16250451 | 1.00 | SIGMAR1 (0.38) | SIGMAR1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL14173610 | 1.00 | SIGMAR1 (0.38) | SIGMAR1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL13993897 | 1.00 | SIGMAR1 (0.38) | SIGMAR1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL15292087 | 1.00 | SIGMAR1 (0.38) | SIGMAR1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL2225916 | 0.83 | SIGMAR1 (0.38) | SIGMAR1TSHRMAPTPRKCBBIRC2 | |
| SCHEMBL2927085 | 0.83 | SIGMAR1 (0.38) | SIGMAR1TSHRMAPTPRKCBBIRC2 | |
| SCHEMBL21831491 | 0.83 | SIGMAR1 (0.38) | SIGMAR1TSHRMAPTPRKCBBIRC2 | |
| SCHEMBL21831861 | 0.83 | SIGMAR1 (0.38) | SIGMAR1TSHRMAPTPRKCBBIRC2 | |
| SCHEMBL2927087 | 0.83 | SIGMAR1 (0.38) | SIGMAR1TSHRMAPTPRKCBBIRC2 | |
| SCHEMBL6914506 | 0.83 | SIGMAR1 (0.38) | SIGMAR1TSHRMAPTPRKCBBIRC2 |
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-2023116934-A1 | KRASG12D PROTEIN HYDROLYSIS REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州泽璟生物制药股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2021062246-A1 | CRF RECEPTOR ANTAGONISTS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-04-01 | — | — | WO | disclosed |
| US-9988382-B2 | [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-A]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2018-06-05 | — | — | US | disclosed |