Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 8/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4244945 | 0.99 | CYP3A4 (0.38) | CYP3A4CYP2C19FFAR1FFAR4LMNA | |
| SCHEMBL1028966 | 0.94 | CYP3A4 (0.39) | CYP3A4CYP2C19FFAR1FFAR4LMNA | |
| Hydrochloric Acid SCHEMBL4244073 | 0.94 | CYP3A4 (0.39) | CYP3A4CYP2C19FFAR1FFAR4LMNA | |
| SCHEMBL1031405 | 0.89 | KDM4E (0.39) | CYP3A4FFAR1FFAR4LMNAHTT | |
| Hydrochloric Acid SCHEMBL4246749 | 0.88 | KDM4E (0.39) | CYP3A4FFAR1FFAR4LMNAHTT | |
| SCHEMBL1032791 | 0.87 | TSHR (0.44) | CYP3A4CYP2C19LMNAHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4245486 | 0.86 | TSHR (0.44) | CYP3A4CYP2C19LMNAHTTSMN1; SMN2 | |
| SCHEMBL1031352 | 0.84 | LMNA (0.35) | CYP2C19LMNAHTTSMN1; SMN2TSHR | |
| SCHEMBL4045301 | 0.84 | LMNA (0.35) | CYP2C19LMNAHTTSMN1; SMN2TSHR | |
| SCHEMBL1032277 | 0.84 | LMNA (0.35) | CYP2C19LMNAHTTSMN1; SMN2TSHR |
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-2013179-A1 | ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007118859-A1 | ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO. KG (DE) | 2007-10-25 | — | — | WO | disclosed |