Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3799284 | 0.87 | — | — | |
| SCHEMBL5608234 | 0.69 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| SCHEMBL27785624 | 0.69 | — | — | |
| SCHEMBL8443596 | 0.67 | — | — | |
| SCHEMBL17361362 | 0.65 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1 | |
| SCHEMBL9763813 | 0.65 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1 | |
| Methylene Chloride SCHEMBL58857 | 0.65 | — | — | |
| SCHEMBL8742563 | 0.65 | ALDH1A1 (0.32) | ALDH1A1TSHRTDP1 | |
| SCHEMBL26164044 | 0.65 | TSHR (0.32) | ALDH1A1TSHRTDP1 | |
| SCHEMBL26046812 | 0.65 | — | — |
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-5149843-A | Chemical intermediate for antitumor-anticarcinogenic agents | MITSUBISHI KASEI CORPORATION (JP) | 1992-09-22 | — | — | US | disclosed |
| EP-0462616-A2 | Conjugated diene compounds, process for producing these compounds and use thereof | Mitsubishi Chemical Corporation (JP) | 1991-12-27 | — | — | EP | disclosed |
| EP-0174680-B1 | SUBSTITUTED 4-FLUOROTHIOCARBANILIDE HERBICIDAL COMPOUNDS AND METHODS OF USE | STAUFFER CHEMICAL COMPANY (US) | 1988-07-06 | — | — | EP | disclosed |