Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.53 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.53 |
| ▸ | HMGCR | P04035 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.35 |
| ▸ | KDM5C | P41229 | 2/20 | 0.35 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.35 |
| ▸ | KDM6B | O15054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL29291513 | 0.82 | ALDH1A1 (0.53) | LDHASRRHMGCRCHRM1TBXA2R | |
| Malonic Acid SCHEMBL27995688 | 0.82 | LDHA (0.53) | LDHASRRHMGCRCHRM1TBXA2R | |
| Bicarbonate SCHEMBL28464828 | 0.81 | ALDH1A1 (0.41) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Malonic Acid SCHEMBL28112208 | 0.78 | LDHA (0.64) | LDHASRRHMGCRCHRM1TBXA2R | |
| Acetic Acid SCHEMBL927068 | 0.78 | FFAR3 (0.50) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| Malonic Acid SCHEMBL6748056 | 0.77 | — | — | |
| Hydrogen Peroxide SCHEMBL20917732 | 0.77 | ALDH1A1 (0.46) | TSHRALDH1A1TDP1 | |
| Malonic Acid SCHEMBL28000261 | 0.76 | LDHA (0.45) | LDHASRRHMGCRCHRM1TBXA2R | |
| Malonic Acid SCHEMBL28727561 | 0.75 | LDHA (0.60) | LDHASRRHMGCRCHRM1TBXA2R | |
| Malonic Acid SCHEMBL28314480 | 0.75 | LDHA (0.60) | LDHASRRHMGCRCHRM1TBXA2R |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106279126-A | Afatinib acid-addition salts and crystal formation, its preparation method and pharmaceutical composition | 杭州普晒医药科技有限公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104540820-B | Afatinib acid addition salt and crystal form thereof, preparation method and pharmaceutical composition thereof | 杭州普晒医药科技有限公司 | 2016-12-21 | — | — | CN | disclosed |