Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 5/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | MITF | O75030 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1162780 | 1.00 | CASR (0.75) | CASRSMN1; SMN2TDP1PKMALDH1A1 | |
| SCHEMBL23992068 | 0.93 | CASR (0.70) | CASRSMN1; SMN2TDP1PKMALDH1A1 | |
| SCHEMBL16186450 | 0.93 | CASR (0.70) | CASRSMN1; SMN2TDP1PKMALDH1A1 | |
| SCHEMBL12603184 | 0.93 | CASR (0.70) | CASRSMN1; SMN2TDP1PKMALDH1A1 | |
| SCHEMBL12603587 | 0.91 | CASR (0.71) | CASRSMN1; SMN2TDP1PKMALDH1A1 | |
| SCHEMBL22342333 | 0.91 | CASR (0.71) | CASRSMN1; SMN2TDP1PKMALDH1A1 | |
| SCHEMBL14469578 | 0.88 | SMN1; SMN2 (0.82) | CASRSMN1; SMN2ALDH1A1KMT2AHTT | |
| SCHEMBL5267369 | 0.87 | BCHE (0.60) | CASRSMN1; SMN2TDP1PKMKMT2A | |
| SCHEMBL8499037 | 0.87 | SMN1; SMN2 (0.66) | CASRSMN1; SMN2TDP1ALDH1A1KMT2A | |
| SCHEMBL8694072 | 0.87 | SMN1; SMN2 (0.66) | CASRSMN1; SMN2TDP1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1577294-A1 | S-SUBSTITUTED N-1- (HETERO)ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHYSIOLOGICALLY ACTIVE S-SUBSTITUTED N-1- (HETERO )ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES,A PHARMACEUTICAL COMPOUND AND CURING METHOD | Institut Fiziologicheski Aktivnykh Veschestv Rossiyskov Akademii Nauk (RU) | 2005-09-21 | — | — | EP | disclosed |