Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 2/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 4/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | CASP9 | P55211 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9207029 | 0.84 | CES1 (0.40) | CES1DNMT1TGM2ALDH1A1ALDH2 | |
| SCHEMBL9055513 | 0.82 | CASP3 (0.47) | CES1DNMT1ALDH1A1CASP3CASP1 | |
| SCHEMBL9057244 | 0.81 | CASP3 (0.48) | ALDH1A1CASP3CASP1CASP7CASP9 | |
| SCHEMBL9056121 | 0.81 | CES1 (0.39) | CES1DNMT1TGM2ALDH1A1ALDH2 | |
| SCHEMBL9056485 | 0.77 | TSHR (0.38) | CES1ALDH1A1ALDH2ALDH3A1CASP1 | |
| SCHEMBL23412593 | 0.76 | ALDH1A1 (0.49) | CES1DNMT1TGM2ALDH1A1ALDH2 | |
| SCHEMBL23412305 | 0.72 | ALDH1A1 (0.49) | CES1DNMT1TGM2ALDH1A1ALDH2 | |
| SCHEMBL9177591 | 0.71 | CASP3 (0.39) | CES1DNMT1TGM2ALDH1A1ALDH2 | |
| SCHEMBL2254584 | 0.67 | PARP1 (0.53) | CES1DAONSD2BCHE | |
| SCHEMBL9472968 | 0.66 | POLB (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0522494-B1 | Novel isatineoxime derivatives, their preparation and use | NEUROSEARCH AS (DK) | 1996-10-02 | — | — | EP | disclosed |
| US-5223527-A | Isatineoxime derivatives and their use | NEUROSEARCH A/S (DK) | 1993-06-29 | — | — | US | disclosed |
| EP-0522494-A1 | Novel isatineoxime derivatives, their preparation and use | NEUROSEARCH A/S (DK) | 1993-01-13 | — | — | EP | disclosed |