Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9816880 | 1.00 | BCHE (0.51) | BCHETSHRKMT2ANPSR1GAA | |
| SCHEMBL6054336 | 0.90 | TSHR (0.51) | BCHETSHRKMT2ANPSR1GAA | |
| SCHEMBL1834929 | 0.90 | TSHR (0.51) | BCHETSHRKMT2ANPSR1GAA | |
| SCHEMBL1834931 | 0.90 | TSHR (0.51) | BCHETSHRKMT2ANPSR1GAA | |
| SCHEMBL20012414 | 0.86 | BCHE (0.56) | BCHETSHRKMT2ANPSR1GAA | |
| SCHEMBL19472433 | 0.85 | BCHE (0.51) | BCHETSHRKMT2ANPSR1SIGMAR1 | |
| SCHEMBL12126080 | 0.85 | BCHE (0.54) | BCHETSHRKMT2ANPSR1SIGMAR1 | |
| SCHEMBL13048982 | 0.84 | BCHE (0.40) | BCHENPSR1SLC6A2SLC6A4OPRK1 | |
| SCHEMBL3931095 | 0.84 | SIGMAR1 (0.53) | BCHETSHRKMT2ANPSR1GAA | |
| SCHEMBL9841066 | 0.82 | CYP2C19 (0.49) | TSHRKMT2ANPSR1GAANPBWR1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0301925-B1 | PROCESS FOR THE ENANTIOSPECIFIC PREPARATION OF (S)2-ETHYL AMINO-1-3-(TRIFLUOROMETHYL PHENYL) PROPANE | ADIR ET COMPAGNIE (FR) | 1991-10-23 | — | — | EP | claimed |
| EP-3858349-A1 | NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME | Japan Tobacco Inc. (JP) | 2021-08-04 | — | — | EP | disclosed |
| EP-3442965-B1 | NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES | BOEHRINGER INGELHEIM INT (DE) | 2021-05-26 | — | — | EP | disclosed |
| EP-3442967-B1 | NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES | BOEHRINGER INGELHEIM INT (DE) | 2020-05-13 | — | — | EP | disclosed |
| EP-3442958-B1 | NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES | BOEHRINGER INGELHEIM INT (DE) | 2020-05-06 | — | — | EP | disclosed |
| EP-3442963-B1 | N-[(PYRAZINYLOXY)PROPANYL]BENZAMIDES | BOEHRINGER INGELHEIM INT (DE) | 2020-05-06 | — | — | EP | disclosed |
| WO-2017178339-A1 | NOVEL N-[(PYRAZINYLOXY)PROPANYL]BENZAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-19 | — | — | WO | disclosed |
| WO-2017178344-A1 | NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-19 | — | — | WO | disclosed |
| WO-2017178338-A1 | NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-19 | — | — | WO | disclosed |
| WO-2017178340-A1 | NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-19 | — | — | WO | disclosed |