Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.56 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9016208 | 0.81 | CAPN9 (0.54) | ALDH1A1CYP3A4GPR35KDM4ECES1 | |
| SCHEMBL505299 | 0.80 | CES1 (0.59) | ALDH1A1TSHRCES1L3MBTL1CAPN9 | |
| SCHEMBL504966 | 0.80 | TGM2 (0.59) | ALDH1A1ALDH2ALDH3A1TSHRCYP3A4 | |
| SCHEMBL505202 | 0.80 | S100A4 (0.49) | ALDH1A1ALDH2ALDH3A1TSHRCYP3A4 | |
| SCHEMBL505285 | 0.80 | ALDH1A1 (0.46) | ALDH1A1ALDH2ALDH3A1KDM4ECES1 | |
| SCHEMBL5482259 | 0.76 | CES1 (0.47) | ALDH1A1ALDH2ALDH3A1TSHRCYP3A4 | |
| SCHEMBL7902291 | 0.76 | GPR35 (0.39) | ALDH1A1ALDH2ALDH3A1TSHRCYP3A4 | |
| SCHEMBL1743529 | 0.74 | CES1 (0.67) | ALDH1A1ALDH2ALDH3A1CES1MAOA | |
| SCHEMBL29502897 | 0.74 | CES1 (0.67) | ALDH1A1ALDH2ALDH3A1CES1MAOA | |
| SCHEMBL3738428 | 0.73 | CES1 (0.56) | ALDH1A1ALDH2ALDH3A1TSHRCYP3A4 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414328-B1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO SA (CH) | 2021-05-26 | — | — | EP | disclosed |
| EP-2414328-B1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO SA (CH) | 2021-05-26 | — | — | EP | disclosed |
| CN-107922430-B | 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2020-09-04 | — | — | CN | disclosed |
| US-9006454-B2 | Dihydroorotate dehydrogenase inhibitors | MERCK SERONO S.A. (CH) | 2015-04-14 | — | — | US | disclosed |
| US-9006454-B2 | Dihydroorotate dehydrogenase inhibitors | MERCK SERONO S.A. (CH) | 2015-04-14 | — | — | US | disclosed |
| CN-104030987-A | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO SA | 2014-09-10 | — | — | CN | disclosed |
| EP-2414328-A2 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | Merck Serono S.A. (CH) | 2012-02-08 | — | — | EP | disclosed |
| US-20120028959-A1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO S.A. (CH) | 2012-02-02 | — | — | US | disclosed |
| US-20120028959-A1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO S.A. (CH) | 2012-02-02 | — | — | US | disclosed |
| WO-2010115736-A2 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO S.A. (CH) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010115736-A2 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO S.A. (CH) | 2010-10-14 | — | — | WO | 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 (1 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-20120028959-A1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | DHODH, FH, DPYD | ALDH1A1 95/4885ALDH2 77/4885ALDH3A1 44/4885 |
“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.