Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.62 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL27495689 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TDP1FFAR3TRPA1LMNA | |
| Butanone SCHEMBL1310 | 0.79 | — | — | |
| Butanone SCHEMBL1510153 | 0.79 | — | — | |
| Butanone SCHEMBL1039820 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TDP1FFAR3TRPA1LMNA | |
| Butanone SCHEMBL8379087 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TDP1FFAR3TRPA1LMNA | |
| Acetic Acid SCHEMBL30668519 | 0.76 | FFAR3 (0.54) | TDP1FFAR3NPSR1KMT2ACYP1A2 | |
| Cyclooctane SCHEMBL17142032 | 0.76 | ALDH1A1 (0.77) | ALDH1A1TDP1FFAR3TRPA1KMT2A | |
| Cyclohexane SCHEMBL1573965 | 0.76 | ALDH1A1 (0.77) | ALDH1A1TDP1FFAR3TRPA1KMT2A | |
| Butanone SCHEMBL21631022 | 0.75 | — | — | |
| Butanone SCHEMBL20558041 | 0.75 | — | — |
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-1732707-A2 | ACTIVATION METHOD | Bateman, Stuart Arthur (AU) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005089480-A2 | ACTIVATION METHOD | BATEMAN STUART ARTHUR (AU) | 2005-09-29 | — | — | WO | disclosed |