Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 15/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | RARA | P10276 | 2/20 | 0.36 |
| ▸ | RARB | P10826 | 2/20 | 0.36 |
| ▸ | RARG | P13631 | 2/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5738841 | 0.87 | RARB (0.51) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL6426054 | 0.85 | PTGS2 (0.37) | PTGS2ACACBAKR1C3AKR1C2RARA | |
| SCHEMBL5738571 | 0.85 | FFAR1 (0.43) | ACACBRARARARBRARGCYP26A1 | |
| SCHEMBL5735261 | 0.83 | RARA (0.42) | ACACBRARARARBRARGCYP26A1 | |
| SCHEMBL7984067 | 0.82 | RARB (0.36) | ACACBRARARARBRARGCYP26A1 | |
| SCHEMBL7548508 | 0.81 | ACACB (0.34) | ACACB | |
| SCHEMBL6425907 | 0.79 | ACACB (0.41) | PTGS2ACACBAKR1C3AKR1C2RARA | |
| SCHEMBL6426325 | 0.78 | ACACB (0.38) | PTGS2ACACBAKR1C3AKR1C2RARA | |
| SCHEMBL6425926 | 0.78 | ACACB (0.42) | PTGS2ACACBAKR1C3AKR1C2RARA | |
| SCHEMBL5738727 | 0.77 | GABRA1 (0.32) | — |
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-6369261-B1 | CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6369225-B1 | ENZYME INHIBITORS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |