Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3038206 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CES2CES1EPHX1HIF1A | |
| SCHEMBL8396542 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CES2CES1EPHX1HIF1A | |
| SCHEMBL5097108 | 0.97 | — | — | |
| SCHEMBL5097384 | 0.92 | — | — | |
| SCHEMBL994396 | 0.86 | — | — | |
| SCHEMBL10443486 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CES2CES1EPHX1HIF1A | |
| SCHEMBL4592859 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CES2CES1EPHX1HIF1A | |
| SCHEMBL78649 | 0.74 | EPHX1 (0.41) | ALDH1A1CES2CES1EPHX1HIF1A | |
| SCHEMBL3732008 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CES2CES1EPHX1HIF1A | |
| Acetic Acid SCHEMBL8651424 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CES2CES1EPHX1HIF1A |
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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110230478-A1 | 4-Alkyl-substituted diaminopyrimidines | Bayer ScienceCrop AG (DE) | 2011-09-22 | — | — | US | claimed |
| EP-2330904-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | claimed |
| US-20110105472-A1 | Diaminopyrimidines as crop protection agents | BAYER CROPSCIENCE AG (DE) | 2011-05-05 | — | — | US | claimed |
| EP-2268144-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | Bayer CropScience AG (DE) | 2011-01-05 | — | — | EP | claimed |
| WO-2010025871-A1 | 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |
| WO-2010025863-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |
| EP-2161259-A1 | 4-Haloalkyl substituted Diaminopyrimidine | Bayer CropScience AG (DE) | 2010-03-10 | — | — | EP | claimed |
| WO-2009115267-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-09-24 | — | — | WO | claimed |
| US-8871210-B2 | Chemokine receptor antagonists and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-10-28 | — | — | US | disclosed |
| US-8822459-B2 | Compound containing basic group and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-09-02 | — | — | US | disclosed |
| EP-1957073-B1 | MEDICINAL DRUG | OTSUKA PHARMA CO LTD (JP) | 2014-04-23 | — | — | EP | disclosed |
| EP-1790639-B1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS | ONO PHARMACEUTICAL CO (JP) | 2014-03-26 | — | — | EP | disclosed |
| US-8680092-B2 | Nitrogenous heterocyclic compound and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-03-25 | — | — | US | disclosed |
| US-20140072576-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-03-13 | — | — | US | disclosed |
| US-20040248872-A1 | Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2004-12-09 | — | — | US | disclosed |
| EP-1439169-A1 | DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2004-07-21 | — | — | EP | disclosed |
| US-5864043-A | CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST | KARL THOMAE GMBH (DE) | 1999-01-26 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0392317-B1 | Benzimidazoles, drugs containing these compounds and process for their preparation | THOMAE GMBH DR K (DE) | 1996-01-03 | — | — | EP | disclosed |
| EP-0392317-A2 | Benzimidazoles, drugs containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1990-10-17 | — | — | EP | 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 (4 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-20140072576-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | CXCR4, CXCR1, CXCR3 | ALDH1A1 793/4885CES2 1605/4885CES1 1073/4885 |
| US-20110230478-A1 | 4-Alkyl-substituted diaminopyrimidines | DPM1, DPYD, POLR1C | ALDH1A1 765/4885CES2 2907/4885CES1 3545/4885 |
| US-20040248872-A1 | Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor | DDT, WEE1, NOTUM | ALDH1A1 875/4885CES2 4089/4885CES1 1572/4885 |
| US-20110105472-A1 | Diaminopyrimidines as crop protection agents | DDX41, DDX1, DDX5 | ALDH1A1 1043/4885CES2 3617/4885CES1 2749/4885 |
“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.