Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | ACP3 | P15309 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL597894 | 0.86 | MTNR1A (0.53) | MTNR1AMTNR1BTRPA1CYP19A1ACP3 | |
| SCHEMBL11861767 | 0.81 | MEN1 (0.48) | MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15288808 | 0.76 | ESR1 (0.56) | MTNR1AMTNR1BTRPA1ESR1ESR2 | |
| SCHEMBL15288809 | 0.76 | ESR1 (0.56) | MTNR1AMTNR1BTRPA1ESR1ESR2 | |
| SCHEMBL3423695 | 0.75 | HTR2A (0.50) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL148756 | 0.75 | TRPA1 (0.48) | TRPA1 | |
| SCHEMBL27754041 | 0.74 | MEN1 (0.55) | MTNR1AMTNR1BTRPA1SLC6A2SLC6A4 | |
| SCHEMBL7857405 | 0.74 | TRPA1 (0.35) | MTNR1AMTNR1BTRPA1SLC6A2SLC6A4 | |
| Boric Acid SCHEMBL21356833 | 0.73 | TRPA1 (0.43) | TRPA1 | |
| SCHEMBL11746759 | 0.73 | TRPA1 (0.47) | MTNR1AMTNR1BTRPA1CYP19A1ACP3 |
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-6500363-B1 | CHARGED AROMATIC DONOR/ACCEPTOR MOIETIES WITH MOLECULAR POLYHEDRAL AND PI-DELOCALIZED-BASED SYSTEMS PROVIDES COMPOUNDS WITH EXCEPTIONAL NLO RESPONSES; BORON CAGE COMPOUNDS | SYRACUSE UNIVERSITY | 2002-12-31 | — | — | US | disclosed |