Known targets — ChEMBL curated mechanism
ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2
The experimentally established mechanism targets of Pentetic 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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.62 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.43 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.62 |
| ▸ | LMNA | P02545 | 7/20 | 0.62 |
| ▸ | TSHR | P16473 | 4/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | BLM | P54132 | 3/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.62 |
| ▸ | DRD1 | P21728 | 1/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.62 |
| ▸ | DRD3 | P35462 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Edetic Acid SCHEMBL9707163 | 0.98 | ALDH1A1 (0.65) | KDM4ELMNATSHRTDP1BLM | |
| Edetic Acid SCHEMBL1684283 | 0.98 | ALDH1A1 (0.65) | KDM4ELMNATSHRTDP1BLM | |
| Edetic Acid SCHEMBL2923973 | 0.96 | ALDH1A1 (0.62) | KDM4ELMNATSHRTDP1BLM | |
| Edetic Acid SCHEMBL9067296 | 0.96 | ALDH1A1 (0.62) | KDM4ELMNATSHRTDP1BLM | |
| Edetic Acid SCHEMBL5727736 | 0.96 | ALDH1A1 (0.62) | KDM4ELMNATSHRTDP1BLM | |
| Edetic Acid SCHEMBL17162123 | 0.96 | ALDH1A1 (0.62) | KDM4ELMNATSHRTDP1BLM | |
| Edetic Acid SCHEMBL21433561 | 0.96 | ALDH1A1 (0.62) | KDM4ELMNATSHRTDP1BLM | |
| Edetic Acid SCHEMBL7761651 | 0.96 | ALDH1A1 (0.62) | KDM4ELMNATSHRTDP1BLM | |
| Edetic Acid SCHEMBL6382393 | 0.94 | ALDH1A1 (0.60) | KDM4ELMNATSHRTDP1BLM | |
| Edetic Acid SCHEMBL9096873 | 0.90 | ALDH1A1 (0.56) | KDM4ELMNATSHRTDP1BLM |
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-0831169-A2 | Stabilizers for use in oxygen-based treatments of cellulose materials | NALCO CHEMICAL COMPANY (US) | 1998-03-25 | — | — | EP | claimed |
| EP-0831169-A2 | Stabilizers for use in oxygen-based treatments of cellulose materials | NALCO CHEMICAL COMPANY (US) | 1998-03-25 | — | — | EP | disclosed |