Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL6049811 | 1.00 | CA1 (0.48) | CA1CA2CA9TDP1CA12 | |
| Isopropylbenzene SCHEMBL11399931 | 1.00 | CA1 (0.48) | CA1CA2CA9TDP1CA12 | |
| Isopropylbenzene SCHEMBL6477895 | 0.91 | CA1 (0.58) | CA1CA2CA9TDP1CA12 | |
| Isopropylbenzene SCHEMBL7596189 | 0.91 | CA1 (0.58) | CA1CA2CA9TDP1CA12 | |
| Isopropylbenzene SCHEMBL27470674 | 0.91 | CYP2D6 (0.50) | LMNACRHBPCRHR2CYP2D6SRC | |
| Isopropylbenzene SCHEMBL9192219 | 0.86 | ESR1 (0.52) | CA1CA2CA9TDP1CA12 | |
| Isopropylbenzene SCHEMBL22721282 | 0.86 | ESR1 (0.52) | CA1CA2CA9TDP1CA12 | |
| Isopropylbenzene SCHEMBL8104018 | 0.86 | CYP2D6 (0.50) | LMNACRHBPCRHR2CYP2D6SRC | |
| Isopropylbenzene SCHEMBL28273700 | 0.85 | SRC (0.48) | CA1CA2CA9TDP1CA12 | |
| Isopropylbenzene SCHEMBL10534382 | 0.85 | ALDH1A1 (0.44) | TDP1GLALMNAHSD17B10NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-217274177-U | Waste treatment system for cumene/phenol-acetone/bisphenol A process | 凯勒特燃烧技术与设备(上海)有限公司 | 2022-08-23 | — | — | CN | disclosed |