Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.63 |
| ▸ | CA2 | P00918 | 3/20 | 0.63 |
| ▸ | ESR1 | P03372 | 3/20 | 0.63 |
| ▸ | CA12 | O43570 | 2/20 | 0.63 |
| ▸ | CA7 | P43166 | 2/20 | 0.63 |
| ▸ | CA9 | Q16790 | 2/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11593251 | 0.98 | CA1 (0.66) | CA1CA2ESR1CA12CA7 | |
| SCHEMBL19235060 | 0.90 | TDP1 (0.54) | CA1CA2ESR1CA12CA7 | |
| SCHEMBL26453328 | 0.90 | TDP1 (0.54) | CA1CA2ESR1CA12CA7 | |
| SCHEMBL13292517 | 0.90 | TDP1 (0.54) | CA1CA2ESR1CA12CA7 | |
| SCHEMBL29311434 | 0.89 | ALDH1A1 (0.70) | CA1CA2ESR1CA12CA7 | |
| Ethylene Glycol SCHEMBL1538248 | 0.88 | CA1 (0.73) | CA1CA2ESR1CA12CA7 | |
| SCHEMBL26378 | 0.88 | TDP1 (0.56) | CA1CA2ESR1CA12CA7 | |
| SCHEMBL1614890 | 0.86 | TDP1 (0.55) | CA1CA2ESR1CA12CA7 | |
| SCHEMBL12092864 | 0.86 | ALDH1A1 (0.72) | CA1CA2ESR1CA12CA7 | |
| Acetone SCHEMBL28904622 | 0.86 | TSHR (0.55) | CA1CA2ESR1CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023076202-A1 | PROCESSES FOR RECOVERING DIALKYL TEREPHTHALATES FROM POLYESTER COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2023-05-04 | — | — | WO | disclosed |