Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HBB | P68871 | 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 | |
|---|---|---|---|---|
| SCHEMBL25182060 | 1.00 | MEN1 (0.53) | MEN1KMT2ATSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL3623720 | 0.87 | — | — | |
| SCHEMBL20086271 | 0.87 | TSHR (0.56) | MEN1KMT2ATSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL16232409 | 0.87 | TSHR (0.62) | MEN1KMT2ATSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL25316762 | 0.87 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL5922763 | 0.87 | TSHR (0.48) | MEN1KMT2ATSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL11193807 | 0.87 | MEN1 (0.46) | MEN1KMT2ATSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL5922768 | 0.85 | MEN1 (0.50) | MEN1KMT2ATSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL22287215 | 0.84 | — | — | |
| SCHEMBL1499263 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023132369-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT | 中外製薬株式会社 | 2023-07-13 | — | — | WO | disclosed |
| CN-109641882-B | Heteroaromatic derivatives as NIK inhibitors | 杨森制药有限公司 | 2022-10-28 | — | — | CN | disclosed |
| CN-115003299-A | Methods and compounds for restoring function of mutant p53 | 皮姆维制药公司 | 2022-09-02 | — | — | CN | disclosed |
| US-6946566-B2 | Process for preparation of optically active halogeno hydroxypropyl compound and glycidyl compound | DAISO CO., LTD. (JP) | 2005-09-20 | — | — | US | disclosed |