Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA6 | P23280 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23582738 | 0.82 | AKR1B10 (0.51) | ESR1NR1H2CA12CA7CA9 | |
| SCHEMBL23582737 | 0.82 | AKR1B10 (0.51) | ESR1NR1H2CA12CA7CA9 | |
| SCHEMBL23583017 | 0.69 | CYP1A2 (0.51) | CYP1A2ESR1NR1H2TNIKHDAC3 | |
| SCHEMBL23583016 | 0.69 | CYP1A2 (0.51) | CYP1A2ESR1NR1H2TNIKHDAC3 | |
| SCHEMBL22930093 | 0.69 | LMNA (0.36) | CYP1A2LMNACA2ALDH1A1MEN1 | |
| SCHEMBL12993089 | 0.67 | CYP1A2 (0.72) | CYP1A2TNIKHDAC1LMNAALDH1A1 | |
| SCHEMBL2224514 | 0.67 | CYP1A2 (0.72) | CYP1A2TNIKHDAC1LMNAALDH1A1 | |
| SCHEMBL7250135 | 0.64 | CA12 (0.46) | ESR1CA12CA7CA9CA14 | |
| SCHEMBL20864067 | 0.64 | ALDH1A1 (0.37) | CA1CA2ALDH1A1MEN1KMT2A | |
| SCHEMBL1450230 | 0.63 | F3 (0.52) | CYP1A2ESR1CA12CA7CA9 |
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-2021133038-A1 | NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF | 주식회사 엘지화학 | 2021-07-01 | — | — | WO | disclosed |