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 | 0.69 |
| ▸ | MAPT | P10636 | 6/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | GAA | P10253 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.63 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | PDE4A | P27815 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29399711 | 0.84 | NPC1 (0.66) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| SCHEMBL2553094 | 0.84 | NPC1 (0.66) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| SCHEMBL154613 | 0.84 | NPC1 (0.66) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| SCHEMBL6760942 | 0.83 | ALDH1A1 (0.70) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| 4-Methoxysalicylic Acid SCHEMBL30179513 | 0.83 | NPC1 (0.72) | ALDH1A1MAPTCYP3A4GAAKDM4E | |
| SCHEMBL10889144 | 0.83 | NPC1 (0.64) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| SCHEMBL98089 | 0.83 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4GAAKDM4E | |
| Hydrochloric Acid SCHEMBL5679748 | 0.83 | NPC1 (0.64) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| SCHEMBL7702317 | 0.83 | NPC1 (0.64) | ALDH1A1MAPTGAAKDM4ENPC1 | |
| 4-Methoxysalicylic Acid SCHEMBL483346 | 0.81 | NPC1 (0.75) | ALDH1A1MAPTCYP3A4NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6727235-B2 | Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents | KREUTZ WERNER (DE) | 2004-04-27 | — | — | US | disclosed |