Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | DBH | P09172 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10137800 | 0.83 | CES2 (0.43) | CES2MEN1CYP3A4MAPTKMT2A | |
| SCHEMBL13688467 | 0.83 | CES2 (0.66) | CES2KDM4EGAAALDH1A1HSD17B10 | |
| SCHEMBL10137799 | 0.83 | KMT2A (0.46) | CES2PPARGKMT2A | |
| SCHEMBL21725656 | 0.81 | RAB9A (0.47) | CES2MAPTKDM4EALDH1A1HTT | |
| SCHEMBL31252817 | 0.80 | ESRRG (0.48) | ESRRGCES2CA12CA1CA2 | |
| SCHEMBL323569 | 0.80 | ESRRG (0.48) | ESRRGCES2CA12CA1CA2 | |
| SCHEMBL11209094 | 0.80 | CES2 (0.50) | ESRRGCES2CA12CA1CA2 | |
| SCHEMBL187787 | 0.80 | ALDH1A1 (0.57) | ESRRGCES2CA12CA1CA2 | |
| SCHEMBL26440666 | 0.79 | AR (0.41) | CES2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL26440433 | 0.79 | LIMK1 (0.49) | MEN1CYP3A4MAPTKMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-4174069-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Wuhan LL Science and Technology Development Co., Ltd. (CN) | 2023-05-03 | — | — | EP | disclosed |