Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | YAP1 | P46937 | 1/20 | 0.38 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.38 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL11641564 | 0.88 | CETP (0.46) | CETPTSHRTAAR1IDO1MEN1 | |
| SCHEMBL21169213 | 0.81 | CETP (0.47) | CETPTSHRMAPK1MAPTTAAR1 | |
| SCHEMBL10700469 | 0.81 | MEN1 (0.54) | CETPTSHRMAPK1MAPTTAAR1 | |
| SCHEMBL7752962 | 0.79 | AR (0.45) | CETPTSHRMAPK1MAPTALDH1A1 | |
| SCHEMBL10704334 | 0.77 | CETP (0.43) | CETPTSHRMAPK1TAAR1IDO1 | |
| SCHEMBL8626864 | 0.77 | CYP3A4 (0.55) | CETPTSHRMAPK1MAPTTAAR1 | |
| SCHEMBL6506855 | 0.77 | CETP (0.49) | CETPTSHRMAPK1MAPTTAAR1 | |
| SCHEMBL27266904 | 0.76 | TSHR (0.48) | CETPTSHRMAPK1TAAR1IDO1 | |
| SCHEMBL7592350 | 0.76 | TSHR (0.52) | CETPTSHRMAPK1MAPTTAAR1 | |
| SCHEMBL5500471 | 0.75 | CYP3A4 (0.44) | CETPTSHRMAPK1MAPTTAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4699910-A | N-(3-trifluoromethyl-phenyl)-N'-propargyl-piperazine and salts thereof useful as analgesics | BOEHRINGER INGELHEIM KG (DE) | 1987-10-13 | — | — | US | disclosed |
| EP-0117531-B1 | N-(3-TRIFLUOROMETHYL PHENYL)-N'-PROPARGYL PIPERAZINE, METHOD FOR ITS PREPARATION AND ITS USE | BOEHRINGER INGELHEIM KG (DE) | 1986-09-17 | — | — | EP | disclosed |
| EP-0117531-A1 | N-(3-trifluoromethyl phenyl)-N'-propargyl piperazine, method for its preparation and its use | BOEHRINGER INGELHEIM KG (DE) | 1984-09-05 | — | — | EP | disclosed |