Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL3305461 | 0.78 | ADH1B (0.59) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL4190257 | 0.77 | ADH1B (0.56) | CYP2D6CYP2C19RAB9AIDO1LMNA | |
| SCHEMBL131913 | 0.75 | IDO1 (0.54) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL5541903 | 0.74 | IDO1 (0.41) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL132034 | 0.72 | — | — | |
| SCHEMBL29526808 | 0.72 | — | — | |
| SCHEMBL16092223 | 0.71 | IDO1 (0.48) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL11620653 | 0.71 | CYP3A4 (0.59) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL7432679 | 0.71 | KDM4E (0.52) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| Hydrochloric Acid SCHEMBL29141400 | 0.69 | KDM4E (0.56) | CYP1A2CYP2D6CYP2C19THPORAB9A |
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-6552192-B1 | Inhibiting cyclin dependent kinase proteins, viruses, and immunostimulation; antimitotic, antiviral, anticancinogenic, antidegenerative, immunosuppressive | USTAU EXPERIMENTALNI BOTANIKY AV-CR (CZ) | 2003-04-22 | — | — | US | disclosed |