Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Aminosalicylic Acid. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.67 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.67 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | TNF | P01375 | 1/20 | 0.49 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Aminosalicylic Acid SCHEMBL5070594 | 0.85 | ALDH1A1 (0.58) | ALDH1A1KDM4EMAPTCYP3A4GAA | |
| SCHEMBL28610796 | 0.84 | TSHR (0.57) | ALDH1A1KDM4EMAPTCYP3A4GAA | |
| SCHEMBL99697 | 0.83 | CASP1 (0.63) | ALDH1A1KDM4EMAPTCYP3A4GAA | |
| Hydrochloric Acid SCHEMBL11630591 | 0.82 | CASP1 (0.61) | ALDH1A1KDM4EMAPTCYP3A4GAA | |
| Aminosalicylic Acid SCHEMBL30337954 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTCYP3A4GAA | |
| Aminosalicylic Acid SCHEMBL3333393 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTCYP3A4GAA | |
| Aminosalicylic Acid SCHEMBL29450213 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTCYP3A4GAA | |
| Aminosalicylic Acid SCHEMBL2262 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTCYP3A4GAA | |
| Carbamic Acid SCHEMBL9949893 | 0.80 | CASP1 (0.59) | ALDH1A1KDM4EMAPTCYP3A4GAA | |
| SCHEMBL10434174 | 0.80 | MAPT (0.59) | ALDH1A1KDM4EMAPTCYP3A4GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1928979-A1 | FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS | Rolic AG (CH) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007033506-A1 | FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS | ROLIC AG (CH) | 2007-03-29 | — | — | WO | disclosed |