Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.47 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28022646 | 0.86 | CYP2C19 (0.39) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Acetic Acid SCHEMBL7488788 | 0.83 | FFAR3 (0.41) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Acetone SCHEMBL2146925 | 0.80 | CYP2C19 (0.39) | TSHRCYP2C19TDP1ALDH1A1 | |
| SCHEMBL703051 | 0.79 | TSHR (0.38) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL13104262 | 0.79 | CYP2C9 (0.39) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL13104034 | 0.78 | KDM4E (0.46) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Methyl Alcohol SCHEMBL4271767 | 0.76 | CYP2C19 (0.38) | TSHRCYP2C19TDP1 | |
| SCHEMBL18191 | 0.76 | CYP2C19 (0.42) | TSHRCYP2C19TDP1 | |
| SCHEMBL9883735 | 0.75 | ALDH1A1 (0.37) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Methacrylic Acid SCHEMBL16337475 | 0.75 | TET2 (0.35) | TSHRCYP2C19TDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107001278-A | Tetrahydro isoquinoline derivative | UCB生物制药私人有限公司 | 2017-08-01 | — | — | CN | disclosed |