Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Methotrexate. 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 | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 4/20 | 0.98 |
| ▸ | FPGS | Q05932 | 3/20 | 0.98 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.98 |
| ▸ | TLR4 | O00206 | 1/20 | 0.98 |
| ▸ | MEN1 | O00255 | 1/20 | 0.98 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.98 |
| ▸ | LMNA | P02545 | 1/20 | 0.98 |
| ▸ | TP53 | P04637 | 1/20 | 0.98 |
| ▸ | TYMS | P04818 | 1/20 | 0.98 |
| ▸ | GLA | P06280 | 1/20 | 0.98 |
| ▸ | POLB | P06746 | 1/20 | 0.98 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.98 |
| ▸ | MAPT | P10636 | 1/20 | 0.98 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.98 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.98 |
| ▸ | HPGD | P15428 | 1/20 | 0.98 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.98 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.98 |
| ▸ | GART | P22102 | 1/20 | 0.98 |
| ▸ | APEX1 | P27695 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Methotrexate SCHEMBL4399585 | 1.00 | DHFR (0.98) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL3711 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL20548444 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL8216266 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL171251 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL29349432 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL16013534 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL3712 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL2301949 | 0.99 | DHFR (1.00) | DHFRFPGSKDM4ETLR4MEN1 | |
| Methotrexate SCHEMBL23111684 | 0.98 | DHFR (0.98) | DHFRFPGSKDM4ETLR4MEN1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170189443-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS | PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) | 2017-07-06 | — | — | US | claimed |
| CN-106456662-A | Compositions of pentosan polysulfate for oral administration and methods of use thereof | 奥利金制药公司 | 2017-02-22 | — | — | CN | claimed |
| EP-3110427-A1 | COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE | Urigen Pharmaceuticals, Inc. (US) | 2017-01-04 | — | — | EP | claimed |
| WO-2015127416-A1 | COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE | URIGEN PHARMACEUTICALS, INC. (US) | 2015-08-27 | — | — | WO | claimed |
| US-20090035315-A1 | Method of Improving Treatments in Rheumatic and Arthritic Diseases | OSTEOLOGIX A/S (DK) | 2009-02-05 | — | — | US | claimed |
| US-20080317849-A1 | Method for Improving the Medical Treatment of Pain | OSTEOLOGIX A/S (DK) | 2008-12-25 | — | — | US | claimed |
| EP-1758652-A2 | IMPROVING PAIN TREATMENT WITH STRONTIUM COMBINATIONS | Osteologix A/S (DK) | 2007-03-07 | — | — | EP | claimed |
| EP-1758653-A2 | TREATMENTS COMPRISING STRONTIUM FOR RHEUMATIC AND ARTHRITIC DISEASES AND PAIN | Osteologix A/S (DK) | 2007-03-07 | — | — | EP | claimed |
| WO-2005123193-A2 | TREATMENTS COMPRISING STRONTIUM FOR RHEUMATIC AND ARTHRITIC DISEASES AND PAIN | OSTEOLOGIX A/S (DK) | 2005-12-29 | — | — | WO | claimed |
| WO-2005123192-A2 | IMPROVING PAIN TREATMENT WITH STRONTIUM COMBINATIONS | OSTEOLOGIX A/S (DK) | 2005-12-29 | — | — | WO | claimed |
| WO-2005123130-A2 | IMPROVED TREATMENTS OF RHEUMATIC AND ARTHRITIC DISEASES COMPRISING COMBINATIONS OF A 5-LIPOXYGENASE INHIBITOR | OSTEOLOGIX A/S (DK) | 2005-12-29 | — | — | WO | claimed |
| US-20170189443-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS | PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) | 2017-07-06 | — | — | US | disclosed |
| CN-106456662-A | Compositions of pentosan polysulfate for oral administration and methods of use thereof | 奥利金制药公司 | 2017-02-22 | — | — | CN | disclosed |
| EP-3110427-A1 | COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE | Urigen Pharmaceuticals, Inc. (US) | 2017-01-04 | — | — | EP | disclosed |
| WO-2015127416-A1 | COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE | URIGEN PHARMACEUTICALS, INC. (US) | 2015-08-27 | — | — | WO | disclosed |
| US-20090035315-A1 | Method of Improving Treatments in Rheumatic and Arthritic Diseases | OSTEOLOGIX A/S (DK) | 2009-02-05 | — | — | US | disclosed |
| WO-2005123130-A2 | IMPROVED TREATMENTS OF RHEUMATIC AND ARTHRITIC DISEASES COMPRISING COMBINATIONS OF A 5-LIPOXYGENASE INHIBITOR | OSTEOLOGIX A/S (DK) | 2005-12-29 | — | — | 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-20170189443-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS | SI, SLC20A1, SLC20A2 | DHFR 2161/4885FPGS 757/4885KDM4E 4162/4885 |
“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.