Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.34 |
| ▸ | MMP12 | P39900 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1365294 | 0.75 | ALDH1A1 (0.48) | SLC22A6GABRR1LMNAMAPTMMP12 | |
| SCHEMBL18084132 | 0.74 | OR51E2 (0.39) | SMN1; SMN2GPR84ALDH1A1FFAR1TDP1 | |
| SCHEMBL3801826 | 0.72 | SLC22A6 (0.72) | SLC22A6GABRR1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL4401970 | 0.72 | SLC22A6 (0.44) | SLC22A6GABRR1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL5284483 | 0.70 | PTGS1 (0.41) | — | |
| SCHEMBL25661047 | 0.70 | PTGS1 (0.41) | — | |
| SCHEMBL18082617 | 0.68 | GABRR1 (0.37) | GABRR1ALDH1A1TDP1KDM4E | |
| SCHEMBL18082616 | 0.68 | GABRR1 (0.37) | GABRR1ALDH1A1TDP1KDM4E | |
| SCHEMBL2066730 | 0.68 | SLC22A6 (0.50) | SLC22A6GABRR1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14346068 | 0.68 | SLC22A6 (0.50) | SLC22A6GABRR1LMNAMAPTSMN1; SMN2 |
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-111517930-B | Preparation method and intermediate of fused tricyclic derivative | 四川海思科制药有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-111517930-A | Preparation method and intermediate of fused tricyclic derivative | 四川海思科制药有限公司 | 2020-08-11 | — | — | CN | disclosed |