Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Mesalamine. 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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.96 |
| ▸ | ALOX5 known ✓ | P09917 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.96 |
| ▸ | MEN1 | O00255 | 4/20 | 0.96 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.96 |
| ▸ | HPGD | P15428 | 3/20 | 0.96 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.96 |
| ▸ | THRB | P10828 | 2/20 | 0.96 |
| ▸ | RECQL | P46063 | 2/20 | 0.96 |
| ▸ | KDR | P35968 | 2/20 | 0.96 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.96 |
| ▸ | TNF | P01375 | 1/20 | 0.96 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.96 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.96 |
| ▸ | CASP1 | P29466 | 1/20 | 0.96 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.96 |
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 | |
|---|---|---|---|---|
| Mesalamine SCHEMBL1967328 | 0.98 | KDM4E (1.00) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| Mesalamine SCHEMBL31297 | 0.98 | KDM4E (1.00) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| Mesalamine SCHEMBL28077836 | 0.98 | KDM4E (1.00) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| Mesalamine SCHEMBL29354798 | 0.98 | KDM4E (1.00) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| Mesalamine SCHEMBL2680533 | 0.96 | KDM4E (0.96) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| Mesalamine SCHEMBL6517036 | 0.96 | MEN1 (0.96) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| Mesalamine SCHEMBL2679950 | 0.96 | KDM4E (0.96) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| Mesalamine SCHEMBL15329203 | 0.96 | KDM4E (0.96) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| Mesalamine SCHEMBL9688231 | 0.96 | KDM4E (0.96) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| Mesalamine SCHEMBL10493008 | 0.96 | KDM4E (0.96) | KDM4EALDH1A1MEN1KMT2ATDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10150792-B2 | Bismuth-containing compounds, coordination polymers, methods for modulating pharmacokinetic properties of biologically active agents, and methods for treating patients | SYNTHONICS, INC. (US) | 2018-12-11 | — | — | US | disclosed |
| EP-2637674-A1 | BISMUTH-CONTAINING COMPOUNDS FOR MODULATING PROPERTIES OF BIOLOGICALLY ACTIVE AGENTS | Synthonics, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064722-A1 | BISMUTH-CONTAINING COMPOUNDS FOR MODULATING PROPERTIES OF BIOLOGICALLY ACTIVE AGENTS | SYNTHONICS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| US-20120115823-A1 | BISMUTH-CONTAINING COMPOUNDS, COORDINATION POLYMERS, METHODS FOR MODULATING PHARMACOKINETIC PROPERTIES OF BIOLOGICALLY ACTIVE AGENTS, AND METHODS FOR TREATING PATIENTS | SYNTHONICS, INC. | 2012-05-10 | — | — | 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 (2 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-10150792-B2 | Bismuth-containing compounds, coordination polymers, methods for modulating pharmacokinetic properties of biologically active agents, and methods for treating patients | TPO, MSH2, APC | PTGS2 1801/4885ALOX5 2171/4885KDM4E 3909/4885 |
| US-20120115823-A1 | BISMUTH-CONTAINING COMPOUNDS, COORDINATION POLYMERS, METHODS FOR MODULATING PHARMACOKINETIC PROPERTIES OF BIOLOGICALLY ACTIVE AGENTS, AND METHODS FOR TREATING PATIENTS | TPO, MSH2, APC | PTGS2 1801/4885ALOX5 2171/4885KDM4E 3909/4885 |
“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.