Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL12215160 | 0.84 | PTGS2 (0.55) | PTGS2CYP3A4ALDH1A1ESR1SLC6A2 | |
| SCHEMBL12215159 | 0.84 | PTGS2 (0.55) | PTGS2CYP3A4ALDH1A1ESR1SLC6A2 | |
| SCHEMBL23750682 | 0.83 | PTPN1 (0.47) | PTPN1ALDH1A1ESR1TDP1KDM4E | |
| SCHEMBL863091 | 0.81 | PTGS1 (0.42) | PTGS2PTPN1ALDH1A1ESR1CHRM1 | |
| SCHEMBL10141517 | 0.79 | PTGS2 (0.50) | PTGS2CYP3A4ALDH1A1ESR1CHRM1 | |
| SCHEMBL10141520 | 0.79 | PTGS2 (0.50) | PTGS2CYP3A4ALDH1A1ESR1CHRM1 | |
| SCHEMBL28401208 | 0.78 | ALOX5 (0.45) | PTGS2KDM4E | |
| SCHEMBL13618021 | 0.78 | TACR1 (0.37) | PTPN1ACHE | |
| SCHEMBL19102491 | 0.78 | PTGS2 (0.49) | PTGS2CYP3A4ACHECNR1CNR2 | |
| SCHEMBL863050 | 0.77 | LTA4H (0.48) | PTGS2CYP3A4ALDH1A1ESR1CHRM1 |
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-8143366-B2 | Aryl carbamate oligomers for hydrolyzable prodrugs and prodrugs comprising same | BIOCON LIMITED (IN) | 2012-03-27 | — | — | US | disclosed |