Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 5/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 5/20 | 0.39 |
| ▸ | ITGB8 | P26012 | 5/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.39 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28699700 | 0.89 | MAPT (0.41) | MAPTKMT2AL3MBTL1MEN1LMNA | |
| SCHEMBL28698405 | 0.83 | SMYD3 (0.41) | ITGAVITGB5ITGB6ITGB8ITGB3 | |
| SCHEMBL28709399 | 0.83 | SMYD3 (0.41) | ITGAVITGB5ITGB6ITGB8ITGB3 | |
| SCHEMBL28686054 | 0.80 | WDR5 (0.42) | HPGD | |
| SCHEMBL28685987 | 0.80 | ITGAV (0.47) | ITGAVITGB5ITGB6ITGB8ITGB3 | |
| SCHEMBL28699817 | 0.80 | LMNA (0.41) | ITGAVITGB5ITGB6ITGB8ITGB3 | |
| SCHEMBL28709233 | 0.77 | SMYD3 (0.40) | ITGAVITGB5ITGB6ITGB8ITGB3 | |
| SCHEMBL28709231 | 0.77 | SMYD3 (0.40) | ITGAVITGB5ITGB6ITGB8ITGB3 | |
| SCHEMBL28709229 | 0.76 | ITGAV (0.44) | ITGAVITGB5ITGB6ITGB8ITGB3 | |
| SCHEMBL24036729 | 0.76 | MAPT (0.42) | MAPTHPGDTDP1L3MBTL1 |
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 |