Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL752315 | 0.90 | MAPT (0.40) | SMN1; SMN2NPC1MAPTRAB9AADORA2A | |
| SCHEMBL10201035 | 0.90 | KCNQ2 (0.39) | KCNQ2SMN1; SMN2CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL753423 | 0.80 | AR (0.40) | SMN1; SMN2MAPK1NPC1TP53MAPT | |
| SCHEMBL14207676 | 0.79 | HDAC4 (0.38) | TSHRCACNA1GCYP2C9CYP2C19HDAC4 | |
| SCHEMBL753573 | 0.79 | HDAC4 (0.41) | SMN1; SMN2TSHRCACNA1GCYP2C9CYP2C19 | |
| SCHEMBL765706 | 0.78 | HDAC4 (0.36) | SMN1; SMN2TSHRCACNA1GCYP2C9CYP2C19 | |
| SCHEMBL14207516 | 0.73 | MAPT (0.34) | SMN1; SMN2NPC1MAPTRAB9AADORA2A | |
| SCHEMBL751383 | 0.73 | NR3C1 (0.50) | — | |
| SCHEMBL753470 | 0.73 | NR3C1 (0.50) | — | |
| SCHEMBL2895526 | 0.69 | MAPT (0.52) | KCNQ2SMN1; SMN2TSHRNPC1TP53 |
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-2078015-B1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |