Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.58 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.58 |
| ▸ | ITGAL | P20701 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | CRHBP | P24387 | 2/20 | 0.52 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 3/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8942627 | 0.96 | GAA (0.55) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL871099 | 0.96 | GAA (0.55) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL88894 | 0.96 | GAA (0.55) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL56313 | 0.96 | GAA (0.55) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL27373511 | 0.94 | GAA (0.53) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL12388067 | 0.90 | SMN1; SMN2 (0.63) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL15479701 | 0.88 | SMN1; SMN2 (0.59) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL2315177 | 0.88 | SMN1; SMN2 (0.59) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL2316918 | 0.88 | SMN1; SMN2 (0.59) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL8521592 | 0.88 | SMN1; SMN2 (0.59) | ITGB2ICAM1ITGALSMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7071180-B2 | Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases | BIOVITRUM AB (SE) | 2006-07-04 | — | — | US | disclosed |