Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Phthalimide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8950475 | 0.87 | CASP3 (0.60) | CASP3CA12CA9GLSALDH1A1 | |
| SCHEMBL4468251 | 0.87 | CASP3 (0.60) | CASP3CA12CA9GLSALDH1A1 | |
| SCHEMBL4476083 | 0.87 | CASP3 (0.60) | CASP3CA12CA9GLSALDH1A1 | |
| SCHEMBL14757571 | 0.81 | CASP3 (0.51) | CASP3CA12CA9GLSALDH1A1 | |
| SCHEMBL21901972 | 0.79 | CASP3 (0.53) | CASP3CA12CA9GLSALDH1A1 | |
| SCHEMBL23077378 | 0.78 | CASP3 (0.51) | CASP3CA12CA9GLSALDH1A1 | |
| SCHEMBL5839893 | 0.78 | CASP3 (0.51) | CASP3CA12CA9GLSALDH1A1 | |
| SCHEMBL4581604 | 0.78 | CASP3 (0.51) | CASP3CA12CA9GLSALDH1A1 | |
| SCHEMBL9761288 | 0.78 | CASP3 (0.51) | CASP3CA12CA9GLSALDH1A1 | |
| SCHEMBL25302148 | 0.78 | CASP3 (0.51) | CASP3CA12CA9GLSALDH1A1 |
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-0556240-B1 | CHELATING AGENTS | NYCOMED SALUTAR INC (US) | 1996-07-10 | — | — | EP | disclosed |