Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenylbutazone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.80 |
| ▸ | RAB9A | P51151 | 3/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.80 |
| ▸ | LMNA | P02545 | 2/20 | 0.80 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.80 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.80 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.80 |
| ▸ | TP53 | P04637 | 1/20 | 0.80 |
| ▸ | MAPT | P10636 | 1/20 | 0.80 |
| ▸ | HPGD | P15428 | 1/20 | 0.80 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.80 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenylbutazone SCHEMBL3632 | 0.98 | RAB9A (0.82) | RAB9AALDH1A1CYP3A4LMNAPTGS1 | |
| Phenylbutazone SCHEMBL8005041 | 0.98 | RAB9A (0.82) | RAB9AALDH1A1CYP3A4LMNAPTGS1 | |
| Phenylbutazone SCHEMBL2122724 | 0.97 | RAB9A (0.80) | RAB9AALDH1A1CYP3A4LMNAPTGS1 | |
| Phenylbutazone SCHEMBL21694456 | 0.97 | RAB9A (0.80) | RAB9AALDH1A1CYP3A4LMNAPTGS1 | |
| Phenylbutazone SCHEMBL2874252 | 0.97 | RAB9A (0.80) | RAB9AALDH1A1CYP3A4LMNAPTGS1 | |
| Phenylbutazone SCHEMBL10913190 | 0.97 | RAB9A (0.80) | RAB9AALDH1A1CYP3A4LMNAPTGS1 | |
| SCHEMBL29489697 | 0.92 | ALDH1A1 (0.73) | RAB9AALDH1A1CYP3A4LMNAPTGS1 | |
| Phenylbutazone SCHEMBL11269971 | 0.91 | ALDH1A1 (0.72) | RAB9AALDH1A1CYP3A4LMNAPTGS1 | |
| Phenylbutazone SCHEMBL7460714 | 0.89 | ALDH1A1 (0.70) | RAB9AALDH1A1CYP3A4LMNAPTGS1 | |
| Oxyphenbutazone Anhydrous SCHEMBL25856 | 0.89 | LMNA (1.00) | RAB9AALDH1A1CYP3A4LMNAPTGS1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010046995-A1 | Barrier cream comprising hexamethylenetetramine or derivative thereof | THE SECRETARY OF STATE FOR DEFENCE, GREAT BRITAIN AND NORTHERN IRELAND | 2001-11-29 | — | — | US | claimed |
| EP-0907350-A2 | A BARRIER CREAM COMPRISING HEXAMETHYLENETETRAMINE OR DERIVATIVE THEREOF | The Secretary of State for Defence in Her Britannic Majesty's Government of The United Kingdom of Great Britain and Northern I (GB) | 1999-04-14 | — | — | EP | claimed |
| WO-1997044007-A2 | A BARRIER CREAM COMPRISING HEXAMETHYLENETETRAMINE OR DERIVATIVE THEREOF | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1997-11-27 | — | — | WO | claimed |
| US-6375962-B2 | REACT WITH ALKYLATING AGENTS SUCH AS MUSTARD GAS; MAY CONTAIN PERFLUOROPOLYMERS WHICH ARE EFFECTIVE BARRIER COMPOUNDS FOR PESTICIDES, INDUSTRIAL SOLVENTS AND CHEMICAL WARFARE AGENTS | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 2002-04-23 | — | — | US | disclosed |
| US-20010046995-A1 | Barrier cream comprising hexamethylenetetramine or derivative thereof | THE SECRETARY OF STATE FOR DEFENCE, GREAT BRITAIN AND NORTHERN IRELAND | 2001-11-29 | — | — | US | disclosed |
| US-6224885-B1 | MIXTURE CONTAINING PERFLUORINATED COMPOUND | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 2001-05-01 | — | — | US | disclosed |
| EP-0907350-A2 | A BARRIER CREAM COMPRISING HEXAMETHYLENETETRAMINE OR DERIVATIVE THEREOF | The Secretary of State for Defence in Her Britannic Majesty's Government of The United Kingdom of Great Britain and Northern I (GB) | 1999-04-14 | — | — | EP | disclosed |
| WO-1997044007-A2 | A BARRIER CREAM COMPRISING HEXAMETHYLENETETRAMINE OR DERIVATIVE THEREOF | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1997-11-27 | — | — | 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-20010046995-A1 | Barrier cream comprising hexamethylenetetramine or derivative thereof | MGMT, CUTA, BHMT2 | PTGS1 2670/4885RAB9A 4237/4885ALDH1A1 1335/4885 |
“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.