Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.79 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.79 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.79 |
| ▸ | ITGAV | P06756 | 2/20 | 0.79 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10364533 | 0.83 | ITGB3 (0.58) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL10364217 | 0.83 | KDM4E (0.60) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL5736480 | 0.81 | ITGB3 (0.53) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL5734401 | 0.81 | NPC1 (0.63) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| Iodide SCHEMBL10827466 | 0.80 | NPC1 (0.62) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL15602071 | 0.78 | CFD (0.66) | CYP2C9 | |
| SCHEMBL5735075 | 0.77 | ALDH1A1 (0.74) | CYP1A2CYP2C9TSHRGAAMEN1 | |
| SCHEMBL1097863 | 0.77 | NPC1 (0.62) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL24200375 | 0.77 | ITGB3 (0.74) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL6273381 | 0.75 | MEN1 (0.53) | ITGB1ITGA4ITGB3ITGAVITGA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1268419-B1 | PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS | APPLIED RESEARCH SYSTEMS (AN) | 2006-06-21 | — | — | EP | disclosed |