Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.42 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | LIG1 | P18858 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CASP2 | P42575 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.32 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.32 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8328386 | 0.80 | CA12 (0.30) | CA12CA9 | |
| SCHEMBL8327813 | 0.75 | CES1 (0.41) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL4391519 | 0.75 | PNMT (0.44) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL2251074 | 0.72 | PARP1 (0.57) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL2254584 | 0.72 | PARP1 (0.53) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL8329359 | 0.71 | CES1 (0.43) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL8330728 | 0.71 | CES1 (0.43) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL8329852 | 0.69 | CES1 (0.33) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL8327753 | 0.69 | CES1 (0.42) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL8331051 | 0.66 | CES1 (0.40) | CES1DAONSD2BCHELIG1 |
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 |