Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.40 |
| ▸ | ITGAV | P06756 | 6/20 | 0.38 |
| ▸ | ITGB6 | P18564 | 6/20 | 0.38 |
| ▸ | ITGB8 | P26012 | 6/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.38 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.38 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PPP1CA | P62136 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28709231 | 1.00 | SMYD3 (0.40) | SMYD3ITGAVITGB6ITGB8ITGB1 | |
| SCHEMBL28709399 | 0.93 | SMYD3 (0.41) | SMYD3ITGAVITGB6ITGB8ITGB1 | |
| SCHEMBL28698405 | 0.93 | SMYD3 (0.41) | SMYD3ITGAVITGB6ITGB8ITGB1 | |
| SCHEMBL28709229 | 0.89 | ITGAV (0.44) | SMYD3ITGAVITGB6ITGB8ITGB1 | |
| SCHEMBL28699817 | 0.79 | LMNA (0.41) | ITGAVITGB6ITGB8ITGB1ITGB5 | |
| SCHEMBL28699688 | 0.77 | ITGAV (0.39) | SMYD3ITGAVITGB6ITGB8ITGB1 | |
| SCHEMBL28709226 | 0.75 | L3MBTL1 (0.42) | LMNANPSR1KDM4EALDH1A1PPP1CA | |
| SCHEMBL28709317 | 0.75 | ALDH1A1 (0.37) | LMNANPSR1KDM4EALDH1A1PPP1CA | |
| SCHEMBL28984876 | 0.75 | KHK (0.38) | SMYD3ALDH1A1TSHRMAPTMAPK1 | |
| SCHEMBL28692084 | 0.72 | SLC6A2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2021-09-07 | — | — | CN | disclosed |