Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | MGLL | Q99685 | 3/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | GSDMD | P57764 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28659300 | 0.86 | MGLL (0.64) | ALDH1A1TSHRMGLLABCB11CYP2E1 | |
| SCHEMBL9714195 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRMGLLLMNACA12 | |
| SCHEMBL319904 | 0.79 | MGLL (0.61) | ALDH1A1TSHRMGLLLMNACA12 | |
| SCHEMBL8727074 | 0.78 | MGLL (0.55) | ALDH1A1TSHRMGLLLMNACA12 | |
| SCHEMBL17223798 | 0.77 | MGLL (0.59) | ALDH1A1TSHRMGLLLMNACA12 | |
| SCHEMBL22638105 | 0.77 | MGLL (0.59) | ALDH1A1TSHRMGLLLMNACA12 | |
| SCHEMBL29057842 | 0.77 | MGLL (0.59) | ALDH1A1TSHRMGLLLMNACA12 | |
| SCHEMBL7875605 | 0.77 | MGLL (0.59) | ALDH1A1TSHRMGLLLMNACA12 | |
| SCHEMBL28815435 | 0.77 | MGLL (0.59) | ALDH1A1TSHRMGLLLMNACA12 | |
| SCHEMBL28815761 | 0.77 | MGLL (0.59) | ALDH1A1TSHRMGLLLMNACA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0368956-A4 | QUATERNARY AMMONIUM DITHIOCARBAMATE COMPOUNDS | — | 1990-09-26 | — | — | EP | disclosed |
| EP-0368956-A1 | QUATERNARY AMMONIUM DITHIOCARBAMATE COMPOUNDS | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1990-05-23 | — | — | EP | disclosed |
| WO-1989010956-A1 | QUATERNARY AMMONIUM DITHIOCARBAMATE COMPOUNDS | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1989-11-16 | — | — | WO | disclosed |