Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14370055 | 0.78 | CYP3A4 (0.36) | HRH3KDM4ETSHRMAPK1CYP2C19 | |
| SCHEMBL1434203 | 0.76 | — | — | |
| SCHEMBL7768079 | 0.73 | HRH3 (0.84) | HRH3HDAC8HDAC6PYCR1CNR2 | |
| SCHEMBL5926009 | 0.72 | HRH3 (0.73) | HRH3HDAC8HDAC6PYCR1CNR2 | |
| SCHEMBL375111 | 0.72 | KDM4E (0.68) | HRH3KDM4ETSHRMAPK1CYP2C19 | |
| SCHEMBL6181011 | 0.70 | CA2 (0.43) | CYP2C19CYP3A4CNR2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL11608574 | 0.70 | KDM4E (0.66) | HRH3KDM4ETSHRMAPK1CYP2C19 | |
| SCHEMBL12763728 | 0.70 | HRH3 (0.62) | HRH3KDM4ETSHRMAPK1CYP2C19 | |
| SCHEMBL12763727 | 0.70 | CNR2 (0.67) | HRH3KDM4ETSHRMAPK1CYP2C19 | |
| SCHEMBL8250806 | 0.70 | TP53 (0.61) | HRH3KDM4ETSHRMAPK1CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7279476-B2 | Anticancer agents, antiinflamamtory agents, restenosis, cardiovascular disorders; insertable device | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-09 | — | — | US | disclosed |