Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.59 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
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) | CES1DNMT1AKR1B1TGM2CASP3 | |
| SCHEMBL504966 | 0.80 | TGM2 (0.59) | CES1DNMT1TGM2CASP3CAPN9 | |
| SCHEMBL505202 | 0.80 | S100A4 (0.49) | CES1DNMT1AKR1B1TGM2CASP3 | |
| SCHEMBL505131 | 0.80 | ALDH1A1 (0.56) | CES1DNMT1TGM2CASP3CAPN9 | |
| SCHEMBL5482259 | 0.76 | CES1 (0.47) | CES1DNMT1TGM2CASP3CAPN9 | |
| SCHEMBL505285 | 0.76 | ALDH1A1 (0.46) | CES1CASP3CAPN9ALDH1A1MAPT | |
| SCHEMBL8872843 | 0.75 | CES1 (0.43) | CES1DNMT1AKR1B1ALDH1A1TSHR | |
| SCHEMBL7393532 | 0.75 | ALDH1A1 (0.41) | CES1DNMT1AKR1B1ALDH1A1MAPT | |
| SCHEMBL7393535 | 0.75 | ALDH1A1 (0.41) | CES1DNMT1AKR1B1ALDH1A1MAPT | |
| SCHEMBL8923330 | 0.75 | CES1 (0.58) | CES1DNMT1AKR1B1TGM2CASP3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000038636-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | WO | claimed |
| 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 |
| 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 |
| 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 |
| WO-2000038636-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | 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 | CES1 846/4885DNMT1 1090/4885AKR1B1 83/4885 |
“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.