Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LPAR3 | Q9UBY5 | 6/20 | 0.35 |
| ▸ | LPAR2 | Q9HBW0 | 5/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL27638107 | 0.98 | CES1 (0.42) | CES1CA12CA1CA2CA9 | |
| SCHEMBL9184838 | 0.93 | — | — | |
| SCHEMBL8414742 | 0.81 | CES1 (0.44) | CES1CA12CA1CA2CA9 | |
| SCHEMBL27436364 | 0.81 | CES1 (0.44) | CES1CA12CA1CA2CA9 | |
| SCHEMBL2808705 | 0.80 | CES1 (0.42) | CES1CA12CA1CA2CA9 | |
| SCHEMBL17048683 | 0.80 | TSHR (0.35) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL2316053 | 0.80 | TSHR (0.35) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL8769729 | 0.78 | CES1 (0.45) | CES1CA12CA1CA2CA9 | |
| SCHEMBL28813963 | 0.78 | TSHR (0.40) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL15308094 | 0.78 | CES1 (0.45) | CES1CA12CA1CA2CA9 |
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-0005318-B1 | N-HETEROCYCLYL-4-PIPERIDINAMINES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, INTERMEDIATES THEREFOR, AND METHOD FOR THE PREPARATION OF THE INTERMEDIATES | JANSSEN PHARMACEUTICA N.V. (BE) | 1982-01-06 | — | — | EP | disclosed |
| EP-0005318-A1 | N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-11-14 | — | — | EP | disclosed |