Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL391956 | 0.92 | — | — | |
| SCHEMBL139611 | 0.86 | HDAC8 (0.50) | KEAP1HDAC8CA12CA2CA9 | |
| SCHEMBL139848 | 0.86 | HDAC8 (0.50) | KEAP1HDAC8CA12CA2CA9 | |
| SCHEMBL14129784 | 0.84 | CYP2A6 (0.42) | ALDH1A1MAPK1CYP2A6HDAC8CA12 | |
| Water SCHEMBL11190539 | 0.83 | HDAC8 (0.48) | KEAP1HDAC8CA12CA2CA9 | |
| SCHEMBL10481156 | 0.83 | HDAC8 (0.48) | KEAP1HDAC8CA12CA2CA9 | |
| SCHEMBL26988644 | 0.78 | PYCR1 (0.44) | CYP2A6HDAC8MAOBPYCR1 | |
| SCHEMBL17934774 | 0.78 | CYP2A6 (0.36) | CYP2A6HDAC8CA12CA2CA9 | |
| SCHEMBL27777149 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MAPK1CA12CA2CA9 | |
| SCHEMBL4101868 | 0.78 | HDAC8 (0.43) | KEAP1HDAC8CA12CA2CA9 |
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-7393598-B2 | Light emitting molecules and organic light emitting devices including light emitting molecules | HCF PARTNERS, L.P. (US) | 2008-07-01 | — | — | US | disclosed |