Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL8838962 | 1.00 | TSHR (0.56) | TSHRALDH1A1TRPA1LMNATDP1 | |
| SCHEMBL6315992 | 0.88 | TSHR (0.59) | TSHRALDH1A1TRPA1LMNATDP1 | |
| SCHEMBL4273746 | 0.85 | TSHR (0.46) | TSHRALDH1A1TDP1 | |
| SCHEMBL13389209 | 0.82 | TRPA1 (0.47) | TSHRALDH1A1TRPA1LMNATDP1 | |
| SCHEMBL4609548 | 0.82 | TRPA1 (0.47) | TSHRALDH1A1TRPA1LMNATDP1 | |
| SCHEMBL4270411 | 0.82 | TSHR (0.43) | TSHRALDH1A1TDP1 | |
| SCHEMBL13391793 | 0.82 | TRPA1 (0.47) | TSHRALDH1A1TRPA1LMNATDP1 | |
| SCHEMBL1049623 | 0.82 | TRPA1 (0.47) | TSHRALDH1A1TRPA1LMNATDP1 | |
| SCHEMBL901417 | 0.81 | TSHR (0.56) | TSHRALDH1A1TRPA1LMNATDP1 | |
| SCHEMBL14261872 | 0.81 | TSHR (0.56) | TSHRALDH1A1TRPA1LMNATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004054566-A1 | PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS | WARNER-LAMBERT COMPANY LLC (US) | 2004-07-01 | — | — | WO | disclosed |