Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 6/20 | 0.53 |
| ▸ | DHFR | P00374 | 2/20 | 0.53 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.53 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.53 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.53 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.53 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14329 | 0.84 | TYMS (0.59) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL12022787 | 0.77 | TYMS (0.74) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL24183870 | 0.72 | TYMS (0.72) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL6337570 | 0.70 | DHFR (0.77) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL13524348 | 0.70 | TYMS (0.83) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL9844870 | 0.70 | FOLR1 (0.62) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL9724310 | 0.70 | TYMS (0.73) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL12078376 | 0.69 | TYMS (1.00) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL13959 | 0.69 | TYMS (1.00) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL6240639 | 0.69 | TYMS (1.00) | TYMSDHFRFOLR2FOLR1SLC19A1 |
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-20140142109-A1 | ANTIFOLATE COMBINATIONS | CHELSEA THERAPEUTICS, INC. (US) | 2014-05-22 | — | — | US | disclosed |
| US-8658652-B2 | Antifolate combinations | CHELSEA THERAPEUTICS, INC. (US) | 2014-02-25 | — | — | US | disclosed |
| US-8530653-B2 | Enzyme inhibiting compounds | CHELSEA THERAPEUTICS, INC. (US) | 2013-09-10 | — | — | US | disclosed |
| US-20120142692-A1 | ANTIFOLATE COMBINATIONS | CHELSEA THERAPEUTICS, INC. | 2012-06-07 | — | — | US | disclosed |
| US-20110237609-A1 | ANTIFOLATE COMPOSITIONS | CHELSEA THERAPEUTICS, INC. | 2011-09-29 | — | — | US | disclosed |
| US-20110152276-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES AS ANTIFOLATES | Chelsea Thereapeutics, Inc. | 2011-06-23 | — | — | US | disclosed |
| US-20110124650-A1 | STABLE CRYSTALLINE SALTS OF ANTIFOLATE COMPOUNDS | CHELSEA THERAPEUTICS, INC. | 2011-05-26 | — | — | US | disclosed |
| US-20110112126-A1 | ENZYME INHIBITING COMPOUNDS | CHELSEA THERAPEUTICS, INC. | 2011-05-12 | — | — | US | 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 (6 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-20110152276-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES AS ANTIFOLATES | CCR9, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNO | TYMS 154/4885DHFR 105/4885FOLR2 118/4885 |
| US-20140142109-A1 | ANTIFOLATE COMBINATIONS | DHFR, MTX1, MTHFD1 | TYMS 12/4885DHFR 1/4885FOLR2 10/4885 |
| US-20120142692-A1 | ANTIFOLATE COMBINATIONS | DHFR, MTX1, MTHFD1 | TYMS 12/4885DHFR 1/4885FOLR2 10/4885 |
| US-20110124650-A1 | STABLE CRYSTALLINE SALTS OF ANTIFOLATE COMPOUNDS | UACA, CCL11, ACKR3 | TYMS 79/4885DHFR 5/4885FOLR2 185/4885 |
| US-20110112126-A1 | ENZYME INHIBITING COMPOUNDS | FPGS, DHFR, TYMS | TYMS 3/4885DHFR 2/4885FOLR2 74/4885 |
| US-20110237609-A1 | ANTIFOLATE COMPOSITIONS | DHFR, TYMS, MTHFD1 | TYMS 2/4885DHFR 1/4885FOLR2 89/4885 |
“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.