Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6271249 | 0.81 | CYP1A2 (0.37) | CYP1A2CYP2A6CA9 | |
| SCHEMBL6250746 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP2A6 | |
| SCHEMBL1506225 | 0.74 | CA12 (0.42) | CA9 | |
| SCHEMBL8638150 | 0.72 | CA12 (0.40) | CA9 | |
| SCHEMBL8675804 | 0.70 | ACHE (0.41) | CYP1A2CYP2A6 | |
| SCHEMBL6252118 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL19921795 | 0.65 | ALDH1A1 (0.46) | CYP1A2CYP2A6CA3CA6CA5A | |
| SCHEMBL29716617 | 0.65 | ALDH1A1 (0.46) | CYP1A2CYP2A6CA3CA6CA5A | |
| SCHEMBL14369682 | 0.65 | CA3 (0.46) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL28491054 | 0.65 | CYP3A4 (0.44) | CYP1A2CYP2A6CA3CA6CA5A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832087-A1 | SYNTHESIS OF AND HYDROFORMYLATION WITH FLUORO-SUBSTITUTED BIDENTATE PHOSPHINE LIGANDS | HOECHST CELANESE CORPORATION (US) | 1998-04-01 | — | — | EP | claimed |
| WO-1996038456-A1 | SYNTHESIS OF AND HYDROFORMYLATION WITH FLUORO-SUBSTITUTED BIDENTATE PHOSPHINE LIGANDS | HOECHST CELANESE CORPORATION (US) | 1996-12-05 | — | — | WO | claimed |
| EP-0832087-A1 | SYNTHESIS OF AND HYDROFORMYLATION WITH FLUORO-SUBSTITUTED BIDENTATE PHOSPHINE LIGANDS | HOECHST CELANESE CORPORATION (US) | 1998-04-01 | — | — | EP | disclosed |
| US-5616785-A | BIS/3,5-DIFLUOROPHENYL/PHOSPHINE OXIDE AND BIS/3,5-DIFLUOROPHENYL/-PHOSPHINOUS ACID; CHEMICAL INTERMEDIATES FOR FLUORO-SUBSTITUTED BIDENTATE PHOSPHINE LIGANDS | HOECHST CELANESE CORPORATION (US) | 1997-04-01 | — | — | US | disclosed |
| WO-1996038456-A1 | SYNTHESIS OF AND HYDROFORMYLATION WITH FLUORO-SUBSTITUTED BIDENTATE PHOSPHINE LIGANDS | HOECHST CELANESE CORPORATION (US) | 1996-12-05 | — | — | WO | disclosed |
| US-5567856-A | USING A RHODIUM COMPLEX CATALYST | HOECHST CELANESE CORPORATION (US) | 1996-10-22 | — | — | US | disclosed |