Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 14/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23928897 | 1.00 | CHRNA7 (0.64) | CHRNA7KCNH2ACACBEPHX1CYP2D6 | |
| SCHEMBL23957090 | 0.92 | CHRNA7 (0.55) | CHRNA7KCNH2ACACBEPHX1CYP2D6 | |
| SCHEMBL23957173 | 0.88 | CHRNA7 (0.82) | CHRNA7ACACBKDM4EALDH1A1GLA | |
| SCHEMBL31020806 | 0.86 | CHRNA7 (0.82) | CHRNA7KDM4EALDH1A1GAAHPGD | |
| SCHEMBL23928866 | 0.86 | CHRNA7 (0.82) | CHRNA7KDM4EALDH1A1GAAHPGD | |
| SCHEMBL23957115 | 0.84 | CHRNA7 (0.76) | CHRNA7KCNH2EPHX1CYP2D6EPHX2 | |
| SCHEMBL21617951 | 0.82 | CHRNA7 (0.80) | CHRNA7 | |
| SCHEMBL31020810 | 0.82 | CHRNA7 (0.80) | CHRNA7 | |
| SCHEMBL23928868 | 0.81 | CHRNA7 (0.82) | CHRNA7ACACBHPGDHDAC8HDAC6 | |
| SCHEMBL23957136 | 0.80 | CHRNA7 (0.44) | CHRNA7KCNH2EPHX1CYP2D6EPHX2 |
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-112823157-B | Spirochroman derivatives | 吉瑞工厂 | 2024-08-09 | — | — | CN | claimed |
| CN-112823157-B | Spirochroman derivatives | 吉瑞工厂 | 2024-08-09 | — | — | CN | disclosed |