Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1285321 | 0.81 | PARP1 (0.45) | HPGDPARP1BRD4CREBBPTSHR | |
| SCHEMBL14490157 | 0.79 | DRD2 (0.41) | HPGD | |
| SCHEMBL14483912 | 0.76 | DRD2 (0.46) | MEN1KMT2ATSHR | |
| SCHEMBL31507090 | 0.76 | HPGD (0.37) | HPGDCA1CA9BRD4CREBBP | |
| SCHEMBL5764410 | 0.76 | PARP1 (0.49) | HPGDPARP1 | |
| SCHEMBL17167266 | 0.69 | CA2 (0.44) | HPGDCA1CA9BRD4CREBBP | |
| SCHEMBL16429469 | 0.69 | CA2 (0.44) | HPGDCA1CA9BRD4CREBBP | |
| SCHEMBL155647 | 0.69 | CA2 (0.44) | HPGDCA1CA9BRD4CREBBP | |
| SCHEMBL799675 | 0.69 | CA2 (0.44) | HPGDCA1CA9BRD4CREBBP | |
| SCHEMBL10939693 | 0.68 | GID4 (0.45) | PARP1CD44GID4MEN1USP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110770211-B | Alpha, beta unsaturated amide compound | 协和麒麟株式会社 | 2023-09-19 | — | — | CN | disclosed |
| CN-108430972-A | α, β unsaturated acyl amine compounds | 协和发酵麒麟株式会社 | 2018-08-21 | — | — | CN | disclosed |