Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11550232 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19IKBKETBK1 | |
| SCHEMBL11551454 | 0.73 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19AHRSMN1; SMN2 | |
| SCHEMBL11679521 | 0.71 | TMEM97 (0.36) | CYP1A2CYP2D6CYP2C19SMN1; SMN2RAB9A | |
| SCHEMBL11552117 | 0.71 | TTR (0.38) | RAB9A | |
| SCHEMBL16806131 | 0.66 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19SMN1; SMN2RAB9A | |
| SCHEMBL17166620 | 0.66 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19POLBKCNH2 | |
| SCHEMBL11553445 | 0.66 | TTR (0.39) | POLBRAB9A | |
| SCHEMBL11587798 | 0.66 | MTNR1A (0.35) | SIGMAR1 | |
| SCHEMBL11554624 | 0.65 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C19RAB9ATMEM97 | |
| SCHEMBL19768724 | 0.65 | CYP1A2 (0.72) | CYP1A2CYP2D6CYP2C19AHRSMN1; SMN2 |
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-4146624-A | METHOD OF TREATING VIRUSES WITH BIS-BASIC KETONES OF DIBENZOFURAN | RICHARDSON-MERRELL INC. (US) | 1979-03-27 | — | — | US | disclosed |