Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26612938 | 1.00 | CYP2A6 (0.46) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL26612879 | 0.93 | ALDH1A1 (0.52) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL1796145 | 0.93 | ALDH1A1 (0.52) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL26612945 | 0.91 | ALDH1A1 (0.50) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL8208687 | 0.90 | HPRT1 (0.54) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL26612926 | 0.88 | ALDH1A1 (0.46) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL29278598 | 0.83 | HPRT1 (0.56) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL19781206 | 0.79 | KIF11 (0.50) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL29216533 | 0.77 | ALOX5 (0.32) | ALOX5 | |
| SCHEMBL24186616 | 0.76 | MAPT (0.40) | CYP2A6ALDH1A1HSD17B10TDP1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4399200-A1 | (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS | Mitsubishi Gas Chemical Company, Inc. (JP) | 2024-07-17 | — | — | EP | disclosed |
| WO-2023038156-A1 | (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2023-03-16 | — | — | WO | disclosed |