Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGAV | P06756 | 1/20 | 0.32 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PPID | Q08752 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15709382 | 0.92 | SIGMAR1 (0.43) | SIGMAR1FOLH1ALDH1A1ITGB3ITGA2B | |
| SCHEMBL15047602 | 0.90 | SIGMAR1 (0.42) | SIGMAR1FOLH1ALDH1A1KCNH2CACNA1I | |
| SCHEMBL20145870 | 0.85 | FOLH1 (0.34) | SIGMAR1FOLH1ALDH1A1 | |
| SCHEMBL20145851 | 0.83 | KDM4E (0.43) | SIGMAR1ALDH1A1KCNH2KMT2A | |
| SCHEMBL25039378 | 0.78 | CHIT1 (0.39) | SIGMAR1FOLH1ALDH1A1ITGB3ITGA2B | |
| SCHEMBL15709381 | 0.78 | KDM4E (0.47) | SIGMAR1ALDH1A1KCNH2KMT2A | |
| SCHEMBL15047614 | 0.77 | KDM4E (0.48) | SIGMAR1ALDH1A1KCNH2KMT2A | |
| SCHEMBL20193720 | 0.77 | FOLH1 (0.38) | SIGMAR1FOLH1ALDH1A1KCNH2CACNA1I | |
| SCHEMBL15709429 | 0.77 | FOLH1 (0.40) | FOLH1ALDH1A1KCNH2CACNA1I | |
| SCHEMBL15906364 | 0.75 | OPRD1 (0.40) | FOLH1ALDH1A1 |
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-2922830-B1 | SYNTHESIS OF IMIDAZO(1,2-A)PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF | UNIV BOURGOGNE (FR) | 2018-05-16 | — | — | EP | disclosed |