Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 7/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5736361 | 0.88 | FFAR1 (0.49) | AKR1B1FFAR1CYP26A1CYP3A4RARA | |
| SCHEMBL7980612 | 0.83 | MCL1 (0.37) | CYP26A1CYP3A4RARARARBRARG | |
| SCHEMBL5736240 | 0.82 | RARB (0.53) | CYP26A1CYP3A4RARARARBRARG | |
| SCHEMBL5737152 | 0.81 | FFAR1 (0.48) | AKR1B1FFAR1CYP26A1CYP3A4RARA | |
| SCHEMBL5736923 | 0.79 | SMN1; SMN2 (0.46) | CYP26A1CYP3A4RARARARBRARG | |
| SCHEMBL6425926 | 0.79 | ACACB (0.42) | FFAR1CYP26A1CYP3A4RARARARB | |
| SCHEMBL5736510 | 0.76 | OPRM1 (0.33) | — | |
| SCHEMBL5736289 | 0.76 | OPRM1 (0.35) | — | |
| SCHEMBL5735372 | 0.75 | RARB (0.52) | CYP26A1CYP3A4RARARARBRARG | |
| SCHEMBL7970709 | 0.75 | RARB (0.39) | FFAR1CYP26A1CYP3A4RARARARB |
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 |