Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.74 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.64 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 7/20 | 0.63 |
| ▸ | RAB9A | P51151 | 7/20 | 0.63 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4883712 | 0.85 | PKM (1.00) | PKMTP53KDM4ENPC1RAB9A | |
| SCHEMBL4876686 | 0.83 | NPC1 (0.79) | PKMTP53NOTUMKDM4EDGAT1 | |
| SCHEMBL3979 | 0.82 | NOTUM (1.00) | NOTUMKDM4EDGAT1NPC1RAB9A | |
| SCHEMBL26673871 | 0.82 | NPC1 (0.78) | PKMTP53NOTUMKDM4EDGAT1 | |
| SCHEMBL9612006 | 0.81 | PKM (0.90) | PKMTP53KDM4ENPC1RAB9A | |
| SCHEMBL11965041 | 0.81 | PKM (0.90) | PKMTP53KDM4ENPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL16238468 | 0.80 | NOTUM (0.96) | NOTUMKDM4EDGAT1NPC1RAB9A | |
| SCHEMBL1500576 | 0.78 | NOTUM (0.64) | PKMTP53NOTUMKDM4EDGAT1 | |
| SCHEMBL20767009 | 0.78 | NPC1 (0.72) | TP53NOTUMKDM4EDGAT1NPC1 | |
| SCHEMBL1143348 | 0.78 | KDM4E (1.00) | TP53NOTUMKDM4EDGAT1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117877625-A | Virtual screening method for inhibitor MPB with human cyclooxygenase 2 as target and inhibitor thereof | 重庆医科大学国际体外诊断研究院 | 2024-04-12 | — | — | CN | disclosed |
| US-10604494-B2 | Acylated N-(1 ,2,5-oxadiazol-3-yl)-, N-(1,3,4-oxadiazol-2-yl)-, N-(tetrazol-5-yl)- and N-(triazol-5-yl)-aryl carboxamides, and use thereof as herbicides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-03-31 | — | — | US | disclosed |
| EP-3356334-B1 | ACYLATED N-(1,2,5-OXADIAZOL-3-YL)-, N-(1,3,4-OXADIAZOL-2-YL)-, N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)-ARYLCARBONIC ACID AMIDES AND THEIR USE AS HERBICIDES | BAYER CROPSCIENCE AG (DE) | 2019-12-18 | — | — | EP | disclosed |
| US-20180282290-A1 | Acylated N-(1,2,5-oxadiazol-3-yl)-, N-(1,3,4-oxadiazol-2-yl)-, N-(tetrazol-5-yl)- and N-(triazol-5-yl)-aryl carboxamides, and use thereof as herbicides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-10-04 | — | — | US | disclosed |
| EP-3356334-A1 | ACYLATED N-(1,2,5-OXADIAZOLE-3-YL)-, N-(1,3,4-OXADIAZOLE-2-YL)-, N-(TETRAZOLE-5-YL)- AND N-(TRIAZOLE-5-YL)-ARYL CARBOXAMIDES, AND USE THEREOF AS HERBICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2018-08-08 | — | — | EP | disclosed |
| EP-1751133-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2010-04-14 | — | — | EP | disclosed |
| US-7531556-B2 | Compositions useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-12 | — | — | US | disclosed |
| EP-1751133-A2 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2007-02-14 | — | — | EP | disclosed |
| US-20060019956-A1 | Compositions useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2006-01-26 | — | — | US | disclosed |
| WO-2005105780-A2 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-11-10 | — | — | WO | disclosed |
| EP-0641797-A1 | Cephem derivatives and antimicrobial agents containing the same | KATAYAMA SEIYAKUSYO CO. Ltd. (JP) | 1995-03-08 | — | — | 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 (3 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-10604494-B2 | Acylated N-(1 ,2,5-oxadiazol-3-yl)-, N-(1,3,4-oxadiazol-2-yl)-, N-(tetrazol-5-yl)- and N-(triazol-5-yl)-aryl carboxamides, and use thereof as herbicides | NAT1, AADAC, ACOX3 | PKM 2823/4885TP53 4739/4885NOTUM 407/4885 |
| US-20060019956-A1 | Compositions useful as inhibitors of rock and other protein kinases | ROCK1, ROCK2, PRKCH | PKM 759/4885TP53 589/4885NOTUM 2577/4885 |
| US-20180282290-A1 | Acylated N-(1,2,5-oxadiazol-3-yl)-, N-(1,3,4-oxadiazol-2-yl)-, N-(tetrazol-5-yl)- and N-(triazol-5-yl)-aryl carboxamides, and use thereof as herbicides | NAT1, AADAC, ACOX3 | PKM 2661/4885TP53 4665/4885NOTUM 414/4885 |
“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.