Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL1010969 | 0.78 | TSHR (0.69) | TSHRALDH1A1 | |
| Piperidine SCHEMBL5874511 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL27491426 | 0.74 | — | — | |
| Piperidine SCHEMBL28647712 | 0.74 | ALDH1A1 (0.69) | ALDH1A1CXCR4SMN1; SMN2 | |
| Nitroethane SCHEMBL1332217 | 0.74 | — | — | |
| Nitroethane SCHEMBL35035 | 0.74 | — | — | |
| Pyrrolidine SCHEMBL4890817 | 0.73 | — | — | |
| Piperidine SCHEMBL8740912 | 0.72 | ALDH1A1 (0.64) | ALDH1A1CXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL27574340 | 0.72 | ALDH1A1 (0.64) | ALDH1A1CXCR4SMN1; SMN2 | |
| Nitroethane SCHEMBL29866506 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750802-A | (1R*, 2S)-1-phenyl-2-nitroalcohols and method for producing same | AMVAC CHEMICAL CORPORATION (US) | 1998-05-12 | — | — | US | disclosed |