Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL23923797 | 0.84 | ALDH1A1 (0.71) | ALDH1A1TDP1FFAR3TRPA1HMGCR | |
| Tert-Butanol SCHEMBL11318776 | 0.81 | ALDH1A1 (0.67) | ALDH1A1TDP1FFAR3TRPA1HMGCR | |
| Tert-Butanol SCHEMBL28779762 | 0.81 | ALDH1A1 (0.67) | ALDH1A1TDP1FFAR3TRPA1HMGCR | |
| Butanone SCHEMBL1445496 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TDP1FFAR3TRPA1HMGCR | |
| Tert-Butanol SCHEMBL28779760 | 0.79 | ALDH1A1 (0.62) | ALDH1A1TDP1FFAR3TRPA1HMGCR | |
| Bicarbonate SCHEMBL4899717 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TDP1FFAR3HMGCRCHRM1 | |
| Butanone SCHEMBL28350067 | 0.77 | — | — | |
| Butanone SCHEMBL457943 | 0.77 | — | — | |
| SCHEMBL12478173 | 0.77 | — | — | |
| Butanone SCHEMBL1039820 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1FFAR3TRPA1TSHR |
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-6838516-B2 | Water dispersible polyisocyanate composition and its uses | GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) | 2005-01-04 | — | — | US | claimed |