Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.56 |
| ▸ | RARB | P10826 | 7/20 | 0.51 |
| ▸ | RARG | P13631 | 7/20 | 0.51 |
| ▸ | RARA | P10276 | 4/20 | 0.50 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.50 |
| ▸ | HNF4A | P41235 | 1/20 | 0.46 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | CPT1A | P50416 | 1/20 | 0.44 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12182347 | 0.90 | ACACB (0.57) | ACACBHNF4APTPN11MEN1KMT2A | |
| SCHEMBL2747196 | 0.90 | RARB (0.53) | RARBRARGRARACYP26A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL6923419 | 0.88 | RARB (0.51) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL8615592 | 0.88 | ACACB (0.57) | ACACBPTPN11MEN1KMT2A | |
| SCHEMBL15960257 | 0.84 | RARB (0.63) | ACACBRARBRARGRARACYP26A1 | |
| SCHEMBL1927619 | 0.82 | SLC7A11 (0.55) | HNF4ASLC7A11PTPN11AKR1C3AKR1C2 | |
| SCHEMBL4973133 | 0.82 | CA12 (0.56) | HNF4ASLC7A11PTPN11AKR1C3KMT2A | |
| SCHEMBL8264172 | 0.81 | FFAR1 (0.61) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL18125275 | 0.81 | VCP (0.51) | ACACBRARBRARGRARACYP26A1 | |
| SCHEMBL10411220 | 0.80 | ACACB (0.51) | ACACBMEN1KMT2A |
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-6037488-A | COMPOUNDS SUCH AS 4-((4'-ISOPROPOXY-3'-(1-M-TOLYL)VINYL)PHENYLETHYNYL)BENZOIC ACID | ALLERGAN SALES, INC. (US) | 2000-03-14 | — | — | US | disclosed |