Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2524846 | 0.88 | KCNH2 (0.40) | COMTKCNH2KCNJ1CA12CA1 | |
| SCHEMBL12283967 | 0.83 | CYP2C9 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27140818 | 0.79 | DRD2 (0.44) | KDM4EALDH1A1 | |
| SCHEMBL12211173 | 0.77 | CA12 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30782331 | 0.74 | MCHR1 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27137687 | 0.74 | KMT2A (0.36) | CYP1A2GAAKDM4EALDH1A1JMJD6 | |
| SCHEMBL25318763 | 0.73 | RAB9A (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30782322 | 0.72 | ALDH1A1 (0.51) | PRMT1CA12CA1CA2CA7 | |
| SCHEMBL27146741 | 0.72 | ALDH1A1 (0.51) | PRMT1CA12CA1CA2CA7 | |
| SCHEMBL2519720 | 0.71 | CA12 (0.41) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4577537-A1 | SUBSTITUTED BICYCLES AS HSET INHIBITORS | Merck Patent GmbH (DE) | 2025-07-02 | — | — | EP | disclosed |
| CN-120091998-A | Substituted bicyclic rings as HSET inhibitors | 默克专利股份公司 | 2025-06-03 | — | — | CN | disclosed |
| WO-2024042007-A1 | SUBSTITUTED BICYCLES AS HSET INHIBITORS | MERCK PATENT GMBH (DE) | 2024-02-29 | — | — | WO | disclosed |