Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 17/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 16/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10270219 | 0.86 | CYP3A4 (0.43) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL868291 | 0.82 | TP53 (0.40) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL868100 | 0.72 | SLC6A4 (0.36) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL10269592 | 0.71 | SLC6A4 (0.35) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| Hydrochloric Acid SCHEMBL867802 | 0.71 | CYP3A4 (0.37) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL867162 | 0.71 | SLC6A4 (0.35) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL10270217 | 0.70 | CYP3A4 (0.38) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| Hydrochloric Acid SCHEMBL867310 | 0.70 | CYP3A4 (0.36) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL25314436 | 0.70 | SLC6A4 (0.68) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL8262189 | 0.68 | SLC6A4 (0.53) | CYP3A4ALOX15TSHRTP53SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2603487-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbott GmbH & Co. KG (DE) | 2013-06-19 | — | — | EP | claimed |
| WO-2012020130-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO. KG (DE) | 2012-02-16 | — | — | WO | claimed |
| EP-2603487-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbott GmbH & Co. KG (DE) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012020130-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO. KG (DE) | 2012-02-16 | — | — | WO | disclosed |