Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5885445 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRGRIK1GRIK2GRM1 | |
| SCHEMBL1604823 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRGRIK1GRIK2GRM1 | |
| Hydrochloric Acid SCHEMBL1802512 | 0.98 | ALDH1A1 (0.40) | ALDH1A1TSHRGRIK1GRIK2GRM1 | |
| Hydrochloric Acid SCHEMBL1804048 | 0.98 | ALDH1A1 (0.40) | ALDH1A1TSHRGRIK1GRIK2GRM1 | |
| Hydrochloric Acid SCHEMBL4178709 | 0.98 | ALDH1A1 (0.40) | ALDH1A1TSHRGRIK1GRIK2GRM1 | |
| Hydrochloric Acid SCHEMBL9486353 | 0.87 | GRIK1 (0.59) | ALDH1A1TSHRGRIK1GRIK2GRM1 | |
| SCHEMBL4112630 | 0.85 | GRIK1 (0.59) | ALDH1A1TSHRGRIK1GRIK2GRM1 | |
| Hydrochloric Acid SCHEMBL1427352 | 0.83 | GRIK1 (0.57) | ALDH1A1TSHRGRIK1GRIK2GRM1 | |
| SCHEMBL15299749 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRGRIK1GRIK2GRM1 | |
| SCHEMBL15298839 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRGRIK1GRIK2GRM1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110152276-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES AS ANTIFOLATES | Chelsea Thereapeutics, Inc. | 2011-06-23 | — | — | US | disclosed |
| US-20110152276-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES AS ANTIFOLATES | Chelsea Thereapeutics, Inc. | 2011-06-23 | — | — | US | disclosed |
| US-7951812-B2 | For abnormal cell proliferation, inflammatory diseases, asthma, and arthritis; (S)-N-{4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-4-methylene-L-glutamic acid disodium salt (CHL1007) | CHELSEA THERAPEUTICS, INC. (US) | 2011-05-31 | — | — | US | disclosed |
| US-7951812-B2 | For abnormal cell proliferation, inflammatory diseases, asthma, and arthritis; (S)-N-{4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-4-methylene-L-glutamic acid disodium salt (CHL1007) | CHELSEA THERAPEUTICS, INC. (US) | 2011-05-31 | — | — | US | disclosed |
| WO-2010120345-A1 | METABOLICALLY INERT ANTIFOLATES: NEW INDICATIONS AND FORMULATIONS | NAIR MADHAVAN G (US) | 2010-10-21 | — | — | WO | disclosed |
| US-20100260825-A1 | Antifolates for the treatment of cardiovascular, inflammatory, neoplastic, autoimmune and related diseases in sublingual dosage units, film strips, or skin patches | NAIR MADHAVAN G | 2010-10-14 | — | — | US | disclosed |
| US-20100260825-A1 | Antifolates for the treatment of cardiovascular, inflammatory, neoplastic, autoimmune and related diseases in sublingual dosage units, film strips, or skin patches | NAIR MADHAVAN G | 2010-10-14 | — | — | US | disclosed |
| EP-2125818-A1 | NEW CLASSICAL ANTIFOLATES | Chelsea Therapeutics, Inc. (US) | 2009-12-02 | — | — | EP | disclosed |
| US-20080214585-A1 | NEW CLASSICAL ANTIFOLATES | CHELSEA THERAPEUTICS, INC. | 2008-09-04 | — | — | US | disclosed |
| US-20080214585-A1 | NEW CLASSICAL ANTIFOLATES | CHELSEA THERAPEUTICS, INC. | 2008-09-04 | — | — | US | disclosed |
| WO-2008089390-A1 | NEW CLASSICAL ANTIFOLATES | CHELSEA THERAPEUTICS, INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| WO-2008089390-A1 | NEW CLASSICAL ANTIFOLATES | CHELSEA THERAPEUTICS, INC. (US) | 2008-07-24 | — | — | 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 (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-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 | ALDH1A1 2763/4885TSHR 146/4885GRIK1 3348/4885 |
| US-20080214585-A1 | NEW CLASSICAL ANTIFOLATES | FFAR3, CCR9, NR1H3 | ALDH1A1 2403/4885TSHR 91/4885GRIK1 2618/4885 |
| US-20100260825-A1 | Antifolates for the treatment of cardiovascular, inflammatory, neoplastic, autoimmune and related diseases in sublingual dosage units, film strips, or skin patches | SLC19A1, TPMT, DHFR | ALDH1A1 851/4885TSHR 354/4885GRIK1 3966/4885 |
“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.