Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5107698 | 1.00 | TAAR1 (0.39) | TAAR1CYP3A4TDP1KDM4EADRA2A | |
| SCHEMBL6288575 | 0.80 | TAAR1 (0.40) | TAAR1CYP3A4TDP1KDM4EADRA2A | |
| SCHEMBL8467150 | 0.80 | CYP3A4 (0.39) | TAAR1CYP3A4TDP1LMNAHIF1A | |
| SCHEMBL28980077 | 0.76 | HTR2A (0.49) | ALDH1A1 | |
| SCHEMBL18219540 | 0.76 | TAAR1 (0.39) | TAAR1CYP3A4TDP1KDM4EADRA2A | |
| SCHEMBL4369978 | 0.76 | TAAR1 (0.37) | TAAR1CYP3A4TDP1KDM4EADRA2A | |
| SCHEMBL12584889 | 0.76 | TDP1 (0.45) | TAAR1CYP3A4TDP1KDM4EADRA2A | |
| SCHEMBL104024 | 0.76 | TDP1 (0.45) | TAAR1CYP3A4TDP1KDM4EADRA2A | |
| SCHEMBL29178 | 0.76 | TDP1 (0.45) | TAAR1CYP3A4TDP1KDM4EADRA2A | |
| SCHEMBL18832827 | 0.76 | TDP1 (0.45) | TAAR1CYP3A4TDP1KDM4EADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0754695-B1 | Chiral tertiary phosphanes and process for their preparation | CELANESE CHEM EUROPE GMBH (DE) | 2001-11-07 | — | — | EP | disclosed |
| US-5808163-A | REACTING BENZYLIC QUATERNARY AMMONIUM COMPOUNDS WITH SALTS OF DIARYLPHOSPHINE ANION; PURITY | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 1998-09-15 | — | — | US | disclosed |
| EP-0754695-A1 | Chiral tertiary phosphanes and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-01-22 | — | — | EP | disclosed |