Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.35 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.35 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23027374 | 0.85 | CYP1A2 (0.40) | CYP1A2TP53KMT2AL3MBTL1MEN1 | |
| SCHEMBL20152968 | 0.82 | CYP1A2 (0.33) | CYP1A2KMT2AL3MBTL1HTR1ACYP2D6 | |
| SCHEMBL19870678 | 0.79 | HDAC4 (0.31) | POLB | |
| SCHEMBL20153037 | 0.77 | ESR1 (0.34) | CYP1A2KMT2AHTR1ACYP2D6DRD2 | |
| SCHEMBL23027463 | 0.75 | ADRA1A (0.35) | DRD2GLAKDM4E | |
| SCHEMBL22132727 | 0.73 | TP53 (0.39) | CYP1A2TP53KMT2AL3MBTL1MEN1 | |
| SCHEMBL9418276 | 0.73 | TP53 (0.57) | CYP1A2TP53KMT2AL3MBTL1MEN1 | |
| SCHEMBL19870686 | 0.72 | TP53 (0.41) | CYP1A2TP53KMT2AL3MBTL1MEN1 | |
| SCHEMBL10819305 | 0.69 | HDAC4 (0.37) | DRD2 | |
| SCHEMBL23027378 | 0.68 | ALDH1A1 (0.36) | DRD2GLAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021032074-A1 | BENZAMIDE FUSED AROMATIC RING DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2021-02-25 | — | — | WO | disclosed |