Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.55 |
| ▸ | FYN | P06241 | 2/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | AHR | P35869 | 2/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27533493 | 0.82 | ALDH1A1 (0.52) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL31414281 | 0.82 | ALDH1A1 (0.52) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL28537550 | 0.81 | ALDH1A1 (0.50) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL598697 | 0.80 | HSD17B10 (0.64) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL4850561 | 0.79 | CYP1A2 (0.69) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL23023807 | 0.78 | ALDH1A1 (0.61) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL11016280 | 0.78 | HPGD (0.47) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL598673 | 0.77 | CYP1A2 (0.67) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL531237 | 0.77 | ALDH1A1 (0.64) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL30822825 | 0.77 | ALDH1A1 (0.64) | CYP1A2FYNACHEAHRERBB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040077080-A1 | Compositions and methods for induction of proteins involved in xenobiotic metabolism | PURACYP | 2004-04-22 | — | — | US | disclosed |
| WO-2004016759-A2 | COMPOSITIONS AND METHODS FOR INDUCTION OF PROTEINS INVOLVED IN XENOBIOTIC METABOLISM | RAUCY JUDY (US) | 2004-02-26 | — | — | WO | disclosed |