Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HTR1B | P28222 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL859924 | 0.92 | BCHE (0.51) | BCHEMCHR1HTR1BPPARGPPARD | |
| SCHEMBL1544900 | 0.85 | AHR (0.47) | BCHEHTR1BPPARGPPARDPPARA | |
| SCHEMBL593890 | 0.84 | BCHE (0.54) | BCHEAHRPDE5AL3MBTL1 | |
| SCHEMBL837560 | 0.83 | BCHE (0.48) | BCHEHTR1BPPARGPPARDPPARA | |
| SCHEMBL18202245 | 0.83 | BCHE (0.44) | BCHEHTR1BPPARGPPARDPPARA | |
| SCHEMBL12543495 | 0.81 | AHR (0.47) | BCHEHTR1BPPARGPPARDPPARA | |
| SCHEMBL4317622 | 0.81 | BCHE (0.49) | BCHEHTR1BPPARGPPARDPPARA | |
| SCHEMBL5240875 | 0.81 | HTR1B (0.58) | BCHEHTR1BHTR1D | |
| SCHEMBL20744686 | 0.77 | BCHE (0.45) | BCHEMCHR1HTR1BPPARGPPARD | |
| SCHEMBL10064553 | 0.76 | MCHR1 (0.48) | MCHR1CYP1A2CYP2C9CYP2C19HTR1B |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3081214-A2 | INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2016-10-19 | — | — | EP | disclosed |
| EP-3081214-A2 | INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2016-10-19 | — | — | EP | disclosed |
| EP-2384753-B1 | Hydantoin derivatives as inhibitors of cellular necrosis | BRIGHAM & WOMENS HOSPITAL (US) | 2016-01-06 | — | — | EP | disclosed |
| EP-2384753-B1 | Hydantoin derivatives as inhibitors of cellular necrosis | BRIGHAM & WOMENS HOSPITAL (US) | 2016-01-06 | — | — | EP | disclosed |
| US-8741942-B2 | Inhibitors of cellular necrosis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-06-03 | — | — | US | disclosed |
| US-8741942-B2 | Inhibitors of cellular necrosis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-06-03 | — | — | US | disclosed |
| US-8741942-B2 | Inhibitors of cellular necrosis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-06-03 | — | — | US | disclosed |
| US-20120149702-A1 | INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120149702-A1 | INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120149702-A1 | INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-7491743-B2 | Inhibitors of cellular necrosis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-02-17 | — | — | US | disclosed |
| EP-1327632-B1 | METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF | MITSUBISHI RAYON CO (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-7115751-B2 | Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof | MITSUBISHI RAYON CO., LTD. (JP) | 2006-10-03 | — | — | US | disclosed |
| US-20060211793-A1 | Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof | MITSUBISHI RAYONE CO., LTD. (JP) | 2006-09-21 | — | — | US | disclosed |
| EP-1663184-A2 | HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| US-20060052509-A1 | Composition containing carbon nanotubes having coating thereof and process for producing them | MITSUBISHI RAYON CO., LTD. (JP) | 2006-03-09 | — | — | US | disclosed |
| WO-2005077344-A2 | HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2005-08-25 | — | — | WO | disclosed |
| US-20050119260-A1 | Inhibitors of cellular necrosis | BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2005-06-02 | — | — | US | disclosed |
| US-20040019097-A1 | Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-01-29 | — | — | US | disclosed |
| EP-1327632-A1 | METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF | Mitsubishi Rayon Co., Ltd. (JP) | 2003-07-16 | — | — | 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-20050119260-A1 | Inhibitors of cellular necrosis | TNF, AIFM1, BAD | BCHE 858/4885MCHR1 4688/4885CYP1A2 4746/4885 |
| US-20060211793-A1 | Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof | IDO1, IDO2, INMT | BCHE 4038/4885MCHR1 2168/4885CYP1A2 226/4885 |
| US-20040019097-A1 | Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof | IDO1, IDO2, INMT | BCHE 4139/4885MCHR1 2423/4885CYP1A2 195/4885 |
| US-20120149702-A1 | INHIBITORS OF CELLULAR NECROSIS | TNF, AIFM1, BAD | BCHE 858/4885MCHR1 4688/4885CYP1A2 4746/4885 |
“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.