Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 14/20 | 0.35 |
| ▸ | ITGAV | P06756 | 14/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.35 |
| ▸ | ITGB5 | P18084 | 7/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.34 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29392180 | 0.91 | LMNA (0.36) | LMNAITGB3ITGAVITGA2BITGB5 | |
| SCHEMBL29369724 | 0.89 | LMNA (0.40) | LMNAITGB3ITGAVITGB5ALDH1A1 | |
| SCHEMBL29370435 | 0.82 | ITGB3 (0.37) | LMNAITGB3ITGAVITGA2BITGB5 | |
| SCHEMBL29393359 | 0.81 | LMNA (0.37) | LMNAITGB3ITGAVITGB5ITGB6 | |
| Trifluoroacetic Acid SCHEMBL29393937 | 0.80 | ITGB3 (0.48) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL20140313 | 0.78 | NOTUM (0.40) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL21329619 | 0.74 | BRD4 (0.39) | ITGAVHPGDSMN1; SMN2ITGB6 | |
| SCHEMBL28708231 | 0.74 | ITGB3 (0.37) | ITGB3ITGAVITGA2BITGB5GRM7 | |
| SCHEMBL29390969 | 0.74 | ITGAV (0.34) | LMNAITGB3ITGAVITGB5ALDH1A1 | |
| SCHEMBL28694811 | 0.74 | ITGB3 (0.36) | LMNAITGB3ITGAVITGA2BITGB5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022022364-A1 | PYRROLIDINE INTEGRIN MODULATOR AND USE THEREOF | 清药同创(北京)药物研发中心有限公司 | 2022-02-03 | — | — | WO | disclosed |