Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 13/20 | 0.38 |
| ▸ | RARG | P13631 | 12/20 | 0.38 |
| ▸ | RARA | P10276 | 9/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7982072 | 0.92 | RARB (0.36) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL7984179 | 0.88 | RARB (0.36) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL5738454 | 0.88 | RARB (0.52) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL5735781 | 0.84 | FFAR1 (0.44) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL6425787 | 0.84 | AKR1C3 (0.41) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL7980207 | 0.83 | CYP26A1 (0.38) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL7549795 | 0.81 | ACACB (0.32) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL5737179 | 0.81 | RARA (0.42) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL7970709 | 0.81 | RARB (0.39) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL7684995 | 0.81 | SRC (0.35) | RARBRARGRARACYP26A1CYP3A4 |
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 |