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 | 0.81 |
| ▸ | ALOX5 known ✓ | P09917 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.81 |
| ▸ | HPGD | P15428 | 3/20 | 0.81 |
| ▸ | MEN1 | O00255 | 3/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.81 |
| ▸ | THRB | P10828 | 2/20 | 0.81 |
| ▸ | RECQL | P46063 | 2/20 | 0.81 |
| ▸ | CASP7 | P55210 | 2/20 | 0.81 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.81 |
| ▸ | KDR | P35968 | 2/20 | 0.81 |
| ▸ | TNF | P01375 | 1/20 | 0.81 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.81 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.81 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.81 |
| ▸ | CASP1 | P29466 | 1/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.81 |
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 SCHEMBL7632741 | 0.91 | KDM4E (0.73) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Mesalamine SCHEMBL1967328 | 0.90 | KDM4E (1.00) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Mesalamine SCHEMBL28077836 | 0.90 | KDM4E (1.00) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Mesalamine SCHEMBL29354798 | 0.90 | KDM4E (1.00) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Mesalamine SCHEMBL31297 | 0.90 | KDM4E (1.00) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Mesalamine SCHEMBL140264 | 0.89 | KDM4E (0.81) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Mesalamine SCHEMBL9688231 | 0.88 | KDM4E (0.96) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Mesalamine SCHEMBL15329203 | 0.88 | KDM4E (0.96) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Mesalamine SCHEMBL6517036 | 0.88 | MEN1 (0.96) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Mesalamine SCHEMBL10493008 | 0.88 | KDM4E (0.96) | KDM4EALDH1A1HPGDMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0754001-B1 | NUTRITIONAL PRODUCT FOR TREATMENT OF ULCERATIVE COLITIS AND USE THEREOF | ABBOTT LAB (US) | 2002-01-23 | — | — | EP | disclosed |