Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16684651 | 0.91 | CYP2C19 (0.54) | CYP2C19ALDH1A1TDP1TP53CA2 | |
| SCHEMBL10710091 | 0.85 | TDP1 (0.47) | CYP2C19ALDH1A1TDP1TP53CA2 | |
| SCHEMBL11311530 | 0.83 | GABRR1 (0.37) | CYP2C19ALDH1A1TDP1TP53LMNA | |
| SCHEMBL3956183 | 0.81 | — | — | |
| SCHEMBL15699742 | 0.81 | — | — | |
| SCHEMBL1079959 | 0.81 | — | — | |
| SCHEMBL21051768 | 0.77 | TP53 (0.36) | ALDH1A1TDP1TP53CA2SLC22A6 | |
| SCHEMBL21051772 | 0.77 | TP53 (0.36) | ALDH1A1TDP1TP53CA2SLC22A6 | |
| SCHEMBL2775806 | 0.76 | CYP2C19 (0.44) | CYP2C19ALDH1A1TDP1TP53CA2 | |
| SCHEMBL29018994 | 0.75 | ALDH1A1 (0.31) | ALDH1A1TDP1 |
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-105983426-A | Amorphous calcium phosphate catalyst for use in production of 1,3-butadiene and methyl ethyl ketone from 2,3-butanediol, and method of preparing the same | SK新技术株式会社 | 2016-10-05 | — | — | CN | disclosed |