Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28013234 | 0.88 | RIPK1 (0.43) | POLBRIPK1CYP2C19HPGDLMNA | |
| Quinoline SCHEMBL28823560 | 0.86 | ALDH1A1 (0.38) | HTTPOLBCYP2C19KMT2AMEN1 | |
| SCHEMBL28040029 | 0.79 | KMT2A (0.46) | POLBRIPK1CYP2C19KMT2ANPC1 | |
| SCHEMBL431187 | 0.79 | HTT (0.59) | HTTCYP2C19KMT2AMAPTLMNA | |
| SCHEMBL27569205 | 0.79 | POLB (0.46) | POLBCYP2C19KMT2ANPC1MEN1 | |
| SCHEMBL4560569 | 0.79 | HTT (0.51) | HTTRIPK1CYP2C19KMT2AMAPT | |
| SCHEMBL28013253 | 0.76 | RIPK1 (0.49) | HTTPOLBRIPK1CYP2C19KMT2A | |
| SCHEMBL27927747 | 0.75 | HTT (0.54) | HTTCYP2C19KMT2AMAPTLMNA | |
| SCHEMBL28013833 | 0.75 | POLB (0.51) | POLBRIPK1CYP2C19NPC1CTSC | |
| SCHEMBL3631069 | 0.73 | HTT (0.53) | HTTCYP2C19KMT2AMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105175392-B | A kind of carboxylic acid compound containing thiophene-structure and amide compound containing thiophene-structure and preparation method thereof | 湖南大学 | 2019-04-19 | — | — | CN | disclosed |
| CN-105175392-A | Carboxylic acid compounds containing thiophene structures and amide compounds containing thiophene structures and preparation method for carboxylic acid compounds and amide compounds | UNIV HUNAN | 2015-12-23 | — | — | CN | disclosed |
| CN-104496870-A | Catalytic synthesis method of sulfur-containing carboxylic acid compound and sulfur-containing amide compound | UNIV HUNAN | 2015-04-08 | — | — | CN | disclosed |