Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | CASP7 | P55210 | 2/20 | 0.47 |
| ▸ | CASP9 | P55211 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 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 | |
|---|---|---|---|---|
| SCHEMBL9057244 | 0.99 | CASP3 (0.48) | CASP3CASP1CASP7CASP9ALDH1A1 | |
| SCHEMBL9055289 | 0.86 | ALDH1A1 (0.42) | CASP3CASP1CASP7CASP9ALDH1A1 | |
| SCHEMBL9207029 | 0.82 | CES1 (0.40) | CASP3CASP1CASP7CASP9ALDH1A1 | |
| SCHEMBL9055477 | 0.82 | CES1 (0.41) | CASP3CASP1CASP7CASP9ALDH1A1 | |
| SCHEMBL9056121 | 0.78 | CES1 (0.39) | CASP3ALDH1A1TSHRCYP3A4CYP2C9 | |
| SCHEMBL9056485 | 0.75 | TSHR (0.38) | CASP1CASP7ALDH1A1TSHRCYP3A4 | |
| SCHEMBL23412593 | 0.73 | ALDH1A1 (0.49) | ALDH1A1CES1DNMT1 | |
| SCHEMBL23412305 | 0.70 | ALDH1A1 (0.49) | ALDH1A1CES1DNMT1 | |
| Hydrochloric Acid SCHEMBL8326999 | 0.69 | ALDH1A1 (0.39) | CASP3CASP1CASP7CASP9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8326997 | 0.69 | ALDH1A1 (0.39) | CASP3CASP1CASP7CASP9ALDH1A1 |
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 |