Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11724137 | 0.75 | TSHR (0.30) | TSHR | |
| SCHEMBL20656784 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP2C19 | |
| SCHEMBL11725834 | 0.71 | TSHR (0.32) | TSHR | |
| SCHEMBL1605756 | 0.71 | — | — | |
| SCHEMBL12515118 | 0.71 | — | — | |
| SCHEMBL5697019 | 0.71 | — | — | |
| SCHEMBL11719735 | 0.67 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL28274203 | 0.67 | ALDH1A1 (0.40) | ALDH1A1CYP2C19TSHRTDP1 | |
| Acetonitrile SCHEMBL17394814 | 0.67 | ALDH1A1 (0.39) | ALDH1A1CYP2C19TSHR | |
| SCHEMBL234858 | 0.67 | ALDH1A1 (0.39) | ALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4360479-A | Process for the preparation of acyl cyanide compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1982-11-23 | — | — | US | claimed |
| US-4486600-A | Process for the production of β-hydroxy-α-aminocarboxylic acids | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1984-12-04 | — | — | US | disclosed |
| US-4482760-A | HYDROGENATING A CYANOHYDRIN | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | US | disclosed |
| US-4057563-A | Preparation of dye cyanides | CHALKLEY LYMAN | 1977-11-08 | — | — | US | disclosed |
| US-3975502-A | Process for recovery of hydrogen cyanide | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-08-17 | — | — | US | disclosed |