Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28199091 | 0.89 | THRB (0.35) | THRBTSHRHSD11B1CHRNA1CHRNG | |
| SCHEMBL21612668 | 0.84 | TSHR (0.37) | THRBALDH1A1MAPTHPGDTSHR | |
| SCHEMBL17106367 | 0.80 | CHRNA1 (0.33) | ALDH1A1MAPTHPGDTSHRHSD11B1 | |
| SCHEMBL17106361 | 0.80 | CHRNA1 (0.33) | ALDH1A1MAPTHPGDTSHRHSD11B1 | |
| SCHEMBL17106364 | 0.80 | CHRNA1 (0.33) | ALDH1A1MAPTHPGDTSHRHSD11B1 | |
| SCHEMBL1139285 | 0.79 | BRD4 (0.47) | THRBALDH1A1PARP1PARP15PARP10 | |
| SCHEMBL17014460 | 0.79 | BRD4 (0.47) | THRBALDH1A1PARP1PARP15PARP10 | |
| SCHEMBL4868550 | 0.79 | BRD4 (0.47) | THRBALDH1A1PARP1PARP15PARP10 | |
| SCHEMBL15106469 | 0.78 | HCAR2 (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19ALOX15 | |
| SCHEMBL15106471 | 0.78 | HCAR2 (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732552-A4 | 2,6-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-1732552-A2 | 2,6-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005070133-A2 | 2,6-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2005-08-04 | — | — | WO | disclosed |