Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.49 |
| ▸ | FEN1 | P39748 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31663584 | 0.78 | ESR2 (0.50) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL31663620 | 0.76 | GABRG2 (0.67) | ESR2TRPA1GABRG2GABRB3GABRA5 | |
| SCHEMBL21960122 | 0.76 | ALOX5AP (0.55) | ESR2ALOX5APFEN1TRPA1GABRG2 | |
| SCHEMBL6169284 | 0.75 | FEN1 (0.57) | ESR2ALOX5APFEN1TRPA1GABRG2 | |
| SCHEMBL14245039 | 0.75 | ALOX5AP (0.56) | ESR2ALOX5APFEN1TRPA1GABRG2 | |
| SCHEMBL4359377 | 0.75 | ESR2 (0.66) | ESR2ALOX5APFEN1TRPA1GABRG2 | |
| SCHEMBL7023813 | 0.74 | ESR2 (0.55) | ESR2ALOX5APFEN1TRPA1GABRG2 | |
| SCHEMBL979345 | 0.74 | IKBKB (0.50) | ESR2ALOX5APFEN1TRPA1GABRG2 | |
| SCHEMBL2648336 | 0.74 | ESR2 (0.46) | ESR2ALOX5APFEN1TRPA1GABRG2 | |
| SCHEMBL223 | 0.73 | ESR2 (0.69) | ESR2TRPA1GABRG2GABRB3GABRA5 |
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-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |