Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | RARB | P10826 | 2/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | ALB | P02768 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6425926 | 0.89 | ACACB (0.42) | ACACBPTGS2AKR1C3AKR1C2FFAR1 | |
| SCHEMBL5735372 | 0.85 | RARB (0.52) | RARBCYP26A1CYP3A4RARARARG | |
| SCHEMBL6425787 | 0.84 | AKR1C3 (0.41) | ACACBPTGS2AKR1C3AKR1C2FFAR1 | |
| SCHEMBL6427660 | 0.84 | OPRM1 (0.44) | ACACBPTGS2AKR1C3AKR1C2FFAR1 | |
| SCHEMBL7970709 | 0.83 | RARB (0.39) | ACACBFFAR1RARBCYP26A1CYP3A4 | |
| SCHEMBL5735670 | 0.82 | SMN1; SMN2 (0.45) | ACACBRARBCYP26A1CYP3A4RARA | |
| SCHEMBL6426280 | 0.79 | PTGS2 (0.41) | ACACBPTGS2AKR1C3AKR1C2RARB | |
| SCHEMBL5735734 | 0.79 | GABRA1 (0.33) | RARBCYP26A1CYP3A4RARARARG | |
| SCHEMBL5737804 | 0.78 | OPRM1 (0.34) | CYP2C9 | |
| SCHEMBL7980612 | 0.77 | MCL1 (0.37) | RARBCYP26A1CYP3A4RARARARG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6855512-B2 | Methods for identifying inhibitors of cytochrome P450RAI | ALLERGAN, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-6369225-B1 | ENZYME INHIBITORS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6369261-B1 | CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |