Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22940785 | 1.00 | CES2 (0.56) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL22940767 | 1.00 | CES2 (0.56) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL17077034 | 0.84 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL17076994 | 0.76 | NOS2 (0.40) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL3071715 | 0.74 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL11839162 | 0.74 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL5258023 | 0.74 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL8709138 | 0.74 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL22940018 | 0.72 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL8795663 | 0.72 | CES2 (0.93) | CES2CES1HDAC8HDAC6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-11584745-B2 | Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof | SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) | 2023-02-21 | — | — | US | disclosed |
| US-20210032241-A1 | AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) | 2021-02-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20210032241-A1 | AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | ALK, NOTUM, WEE1 | CES2 3394/4885CES1 501/4885HDAC8 1044/4885 |
| US-11584745-B2 | Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof | ALK, NOTUM, WEE1 | CES2 3394/4885CES1 501/4885HDAC8 1044/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.