Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | GAPDH | P04406 | 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 | |
|---|---|---|---|---|
| 2-Methylbutanal SCHEMBL9655227 | 0.84 | FFAR3 (0.39) | TDP1TSHRFFAR3ALDH1A1SMN1; SMN2 | |
| 2-Methylbutanal SCHEMBL43412 | 0.84 | — | — | |
| 2-Methylbutanal SCHEMBL933421 | 0.84 | — | — | |
| 2-Methylbutanal SCHEMBL3485198 | 0.84 | — | — | |
| 2-Methylbutanal SCHEMBL29210931 | 0.84 | TSHR (0.38) | TDP1TSHRALDH1A1SMN1; SMN2GAPDH | |
| Isobutyraldehyde SCHEMBL9242471 | 0.81 | TDP1 (0.59) | TDP1TSHRFFAR3ALDH1A1 | |
| 2-Methylbutanal SCHEMBL20872392 | 0.81 | — | — | |
| 2-Methylbutanal SCHEMBL5007611 | 0.81 | — | — | |
| 2-Methylbutanal SCHEMBL976585 | 0.81 | — | — | |
| 2-Methylbutanal SCHEMBL3673084 | 0.81 | — | — |
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-1998002406-A1 | RECYCLE AND RECOVERY OF USEFUL PRODUCTS FROM HEAVY ALDOL BY-PRODUCTS | EXXON CHEMICAL PATENTS, INC. (US) | 1998-01-22 | — | — | WO | disclosed |