Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.42 |
| ▸ | TUBB | P07437 | 2/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 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 | |
|---|---|---|---|---|
| SCHEMBL15953126 | 0.82 | ESR1 (0.54) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL4797361 | 0.81 | ALDH1A1 (0.44) | ESR1ALDH1A1CYP3A4MAPTHSD17B10 | |
| SCHEMBL5544081 | 0.81 | ALDH1A1 (0.44) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL34459993 | 0.81 | ALDH1A1 (0.44) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL5542992 | 0.79 | ALDH1A1 (0.42) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL29768596 | 0.79 | TSHR (0.46) | ESR1ALDH1A1CYP3A4MAPTHSD17B10 | |
| SCHEMBL8056400 | 0.79 | ALDH1A1 (0.48) | ESR1CA2ALDH1A1CYP3A4MAPT | |
| SCHEMBL28462880 | 0.79 | ALDH1A1 (0.68) | ESR1CA2ALDH1A1CYP3A4MAPT | |
| SCHEMBL14599487 | 0.79 | ALDH1A1 (0.42) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL5815037 | 0.77 | MAOB (0.44) | ALDH1A1MAPTHSD17B10CYP1A1CYP1B1 |
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-109233799-B | Red electrochromic polymer material, preparation method and application | 北京大学深圳研究生院 | 2021-07-23 | — | — | CN | disclosed |