Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9899177 | 0.76 | ALDH1A1 (0.47) | CES2ALDH1A1MAPTPKMHPGD | |
| Thiodicarb SCHEMBL8341556 | 0.72 | — | — | |
| Thiodicarb SCHEMBL471158 | 0.72 | — | — | |
| Thiodicarb SCHEMBL24688 | 0.72 | — | — | |
| Thiodicarb SCHEMBL3955353 | 0.72 | — | — | |
| Thiodicarb SCHEMBL6547996 | 0.72 | — | — | |
| Thiodicarb SCHEMBL29674324 | 0.72 | — | — | |
| SCHEMBL11341177 | 0.72 | IDO1 (0.40) | ALDH1A1MAPTPKMHPGDATM | |
| SCHEMBL11344071 | 0.71 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL11337005 | 0.70 | KDM4E (0.32) | ALDH1A1MAPTPKMHPGDCES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4291054-A | 4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENEAMINOOXY DERIVATIVES, CHEMICAL INTERMEDIATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-09-22 | — | — | US | claimed |
| US-4291054-A | 4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENEAMINOOXY DERIVATIVES, CHEMICAL INTERMEDIATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-09-22 | — | — | US | disclosed |
| EP-0030472-A2 | Carbamoyl sulfides, their preparation, compositions containing them, their use to control insects, intermediates therefor and preparation of said intermediates | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-06-17 | — | — | EP | disclosed |