Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HNF4A | P41235 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 2/20 | 0.35 |
| ▸ | RARB | P10826 | 2/20 | 0.35 |
| ▸ | RARG | P13631 | 2/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ASPH | Q12797 | 1/20 | 0.33 |
| ▸ | RIOX2 | Q8IUF8 | 1/20 | 0.33 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7982021 | 0.89 | HNF4A (0.38) | HNF4AFFAR1PTGESACACBRARA | |
| SCHEMBL7980637 | 0.88 | RARB (0.36) | HNF4APTGESRARARARBRARG | |
| SCHEMBL5737003 | 0.82 | RARB (0.43) | FFAR1ACACBRARARARBRARG | |
| SCHEMBL5737932 | 0.78 | KMT2A (0.49) | CYP3A4 | |
| SCHEMBL7554831 | 0.78 | OPRM1 (0.50) | HNF4APTGESRARARARBRARG | |
| SCHEMBL7987895 | 0.77 | HNF4A (0.38) | HNF4AFFAR1ACACBRARARARB | |
| SCHEMBL7988083 | 0.73 | RARB (0.38) | HNF4AFFAR1RARARARBRARG | |
| SCHEMBL5736570 | 0.71 | RARB (0.46) | ACACBRARARARBRARGCYP26A1 | |
| SCHEMBL7971273 | 0.70 | RARB (0.36) | HNF4AFFAR1RARARARBRARG | |
| SCHEMBL7984179 | 0.70 | RARB (0.36) | HNF4AACACBRARARARBRARG |
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-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |