Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27512943 | 1.00 | TSHR (0.47) | TSHRALDH1A1TP53TDP1FFAR3 | |
| Methylene Chloride SCHEMBL27879982 | 0.89 | — | — | |
| SCHEMBL1332806 | 0.89 | — | — | |
| SCHEMBL11172685 | 0.89 | — | — | |
| SCHEMBL8734400 | 0.89 | — | — | |
| SCHEMBL1331563 | 0.89 | — | — | |
| SCHEMBL29510754 | 0.89 | — | — | |
| SCHEMBL35516 | 0.89 | — | — | |
| Propionic Acid SCHEMBL28276458 | 0.87 | FFAR3 (0.62) | TSHRALDH1A1TP53TDP1FFAR3 | |
| Alcohol SCHEMBL28831836 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0012366-B1 | 3,4-DIAZA-BICYCLO(4.1.0)HEPTEN-2-ONES-5, PROCESS FOR THEIR PREPARATION AND THERAPEUTICAL COMPOSITIONS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1984-03-14 | — | — | EP | disclosed |
| EP-0012366-A1 | 3,4-Diaza-bicyclo(4.1.0)hepten-2-ones-5, process for their preparation and therapeutical compositions containing them | BASF Aktiengesellschaft (DE) | 1980-06-25 | — | — | EP | disclosed |