Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 11/20 | 0.47 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP9 | P55211 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8331553 | 0.81 | ALDH1A1 (0.49) | CES1DNMT1DAONSD2BCHE | |
| SCHEMBL6609048 | 0.77 | MAOA (0.40) | CES1DAONSD2BCHEALDH1A1 | |
| SCHEMBL13232796 | 0.74 | CES1 (0.36) | CES1DNMT1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL4350619 | 0.74 | ALDH1A1 (0.44) | CES1DNMT1BCHEALDH1A1ALDH2 | |
| SCHEMBL8102934 | 0.74 | CES1 (0.39) | CES1DNMT1ALDH1A1TGM2 | |
| SCHEMBL8327753 | 0.73 | CES1 (0.42) | CES1DAONSD2BCHEALDH1A1 | |
| SCHEMBL6607897 | 0.70 | CYP2C9 (0.39) | ALDH1A1 | |
| SCHEMBL6609831 | 0.68 | MCHR1 (0.39) | TGM2 | |
| SCHEMBL13592440 | 0.68 | GRIA1 (0.36) | CES1ALDH1A1ALDH2ALDH3A1L3MBTL1 | |
| SCHEMBL24690819 | 0.68 | CES1 (0.61) | CES1DNMT1DAONSD2BCHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0529636-B1 | Novel isatinoxime derivatives, their preparation and use | NEUROSEARCH AS (DK) | 1999-06-23 | — | — | EP | disclosed |
| US-5436250-A | Isatineoxime derivatives, their preparation and use | NEUROSEARCH A/S (DK) | 1995-07-25 | — | — | US | disclosed |
| US-5242918-A | Isatinoxime derivatives, their preparation and use | NEUROSEARCH A/S (DK) | 1993-09-07 | — | — | US | disclosed |
| WO-1993005043-A1 | NOVEL ISATINOXIME DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 1993-03-18 | — | — | WO | disclosed |
| EP-0529636-A1 | Novel isatinoxime derivatives, their preparation and use | NEUROSEARCH A/S (DK) | 1993-03-03 | — | — | EP | disclosed |