Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 6/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 5/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL11794429 | 0.85 | — | — | |
| SCHEMBL11787113 | 0.74 | CNR1 (0.38) | CNR2CNR1OPRM1 | |
| SCHEMBL11787487 | 0.70 | CNR2 (0.39) | SLC6A4CYP17A1CYP11B1CNR2CNR1 | |
| SCHEMBL11321070 | 0.68 | CNR2 (0.55) | SLC6A4CNR2CNR1TRPA1CYP1A1 | |
| SCHEMBL11787542 | 0.64 | ALDH1A1 (0.46) | SLC6A4DRD4 | |
| SCHEMBL11774583 | 0.63 | CNR2 (0.56) | SLC6A4CNR2CNR1TRPA1CYP1A1 | |
| SCHEMBL11773119 | 0.62 | CNR2 (0.47) | SLC6A4CNR2CNR1TRPA1CYP1A1 | |
| SCHEMBL11336618 | 0.61 | CNR2 (0.52) | SLC6A4CNR2CNR1TRPA1CYP1A1 | |
| SCHEMBL11789592 | 0.60 | ALDH1A1 (0.46) | SLC6A4DRD4CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL11631492 | 0.59 | LTA4H (0.57) | SLC6A4CYP3A4PTGS1PTGS2SLC6A2 |
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-3947462-A | 2,4,7-substituted 5-hydroxy benzopyrans and esters | ABBOTT LABORATORIES (US) | 1976-03-30 | — | — | US | disclosed |