Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 4/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL2178249 | 0.85 | LMNA (0.35) | LMNAADRA2BTAAR1CCR5CYP2D6 | |
| SCHEMBL14895838 | 0.83 | LMNA (0.37) | LMNATRPA1 | |
| SCHEMBL18119979 | 0.81 | LMNA (0.48) | LMNAHRH1CACNA1FCHRM2CHRM1 | |
| SCHEMBL1420932 | 0.76 | TAAR1 (0.31) | TAAR1CYP2D6 | |
| SCHEMBL17510071 | 0.76 | TRPA1 (0.35) | LMNATRPA1 | |
| SCHEMBL28427943 | 0.75 | ESR1 (0.42) | LMNATRPA1CCR5SIGMAR1 | |
| SCHEMBL5562190 | 0.74 | ESR1 (0.34) | — | |
| SCHEMBL18119977 | 0.73 | CHRNB2 (0.52) | LMNAHRH1CACNA1FCHRM2CHRM1 | |
| SCHEMBL28111618 | 0.72 | SIGMAR1 (0.46) | LMNAHRH1CHRM2CHRM1ADRA1A | |
| SCHEMBL214819 | 0.72 | HDAC4 (0.41) | LMNATRPA1TAAR1CYP2D6TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1233945-A1 | HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES | GPI NIL Holdings, Inc. (US) | 2002-08-28 | — | — | EP | disclosed |
| WO-2001038304-A1 | HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES | GPI NIL HOLDINGS, INC. (US) | 2001-05-31 | — | — | WO | disclosed |