Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 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 | |
|---|---|---|---|---|
| SCHEMBL8330468 | 0.84 | MEN1 (0.38) | BCHEPTGS2ACHEPNMTGAA | |
| SCHEMBL8330462 | 0.84 | MEN1 (0.38) | BCHEPTGS2ACHEPNMTGAA | |
| SCHEMBL8329206 | 0.81 | CES1 (0.40) | BCHEPNMTALDH1A1LMNAMAPT | |
| SCHEMBL3842915 | 0.73 | SLC6A5 (0.46) | ACHEDRD2SLC6A5 | |
| SCHEMBL8327753 | 0.73 | CES1 (0.42) | BCHEALDH1A1KDM4ECES1NSD2 | |
| SCHEMBL8331316 | 0.70 | CES1 (0.40) | BCHEALDH1A1CES1NSD2DAO | |
| SCHEMBL8331051 | 0.70 | CES1 (0.40) | BCHEALDH1A1CES1NSD2DAO | |
| SCHEMBL1671165 | 0.68 | EPHX2 (0.56) | ACHEGAAALDH1A1KMT2ASIGMAR1 | |
| SCHEMBL8450698 | 0.68 | SIGMAR1 (0.58) | ACHEPNMTALDH1A1LMNACYP1A2 | |
| SCHEMBL6672942 | 0.67 | SIGMAR1 (0.62) | ACHELMNACYP1A2SIGMAR1HTR2C |
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 |