Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28901494 | 1.00 | KDM1A (0.46) | KDM1AMEN1KMT2AHDAC9KIF11 | |
| SCHEMBL4735703 | 0.90 | HDAC9 (0.44) | KDM1AHDAC9KIF11SIGMAR1TP53 | |
| SCHEMBL4737865 | 0.90 | HDAC9 (0.44) | KDM1AHDAC9KIF11SIGMAR1TP53 | |
| SCHEMBL390762 | 0.82 | ALDH1A1 (0.42) | KDM1AMEN1KMT2AHDAC9KIF11 | |
| SCHEMBL20137430 | 0.82 | KMT2A (0.47) | KDM1AMEN1KMT2AHDAC9 | |
| SCHEMBL30995679 | 0.82 | KMT2A (0.47) | KDM1AMEN1KMT2AHDAC9 | |
| SCHEMBL20137431 | 0.82 | KMT2A (0.47) | KDM1AMEN1KMT2AHDAC9 | |
| SCHEMBL26692976 | 0.81 | MEN1 (0.46) | KDM1AMEN1KMT2ASIGMAR1 | |
| SCHEMBL20137432 | 0.80 | KDM4C (0.38) | KDM1AMEN1KMT2ASIGMAR1RAD52 | |
| SCHEMBL28478058 | 0.80 | KDM4C (0.41) | SIGMAR1CYP1A2TSHRBLMRAD52 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12006323-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2024-06-11 | — | — | US | disclosed |
| US-11034699-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2021-06-15 | — | — | US | disclosed |
| CN-107580598-B | Ethynyl derivatives as metabotropic glutamate receptor modulators | 豪夫迈·罗氏有限公司 | 2020-11-13 | — | — | CN | disclosed |
| EP-3322701-B1 | ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2019-05-01 | — | — | EP | disclosed |
| US-20190119290-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2019-04-25 | — | — | US | disclosed |
| US-10189848-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2019-01-29 | — | — | US | disclosed |
| US-20180134721-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-05-17 | — | — | 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 (5 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-11034699-B2 | Ethynyl derivatives | GRM4, GRM2, GRIA4 | KDM1A 3980/4885MEN1 2270/4885KMT2A 1371/4885 |
| US-20180134721-A1 | ETHYNYL DERIVATIVES | GRM4, GRM2, GRIA4 | KDM1A 3980/4885MEN1 2270/4885KMT2A 1371/4885 |
| US-20190119290-A1 | ETHYNYL DERIVATIVES | GRM4, GRM2, GRIA4 | KDM1A 3980/4885MEN1 2270/4885KMT2A 1371/4885 |
| US-12006323-B2 | Ethynyl derivatives | GRM4, GRM2, GRIA4 | KDM1A 3980/4885MEN1 2270/4885KMT2A 1371/4885 |
| US-10189848-B2 | Ethynyl derivatives | GRM4, GRM2, GRIA4 | KDM1A 3980/4885MEN1 2270/4885KMT2A 1371/4885 |
“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.