Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL28362258 | 0.85 | ALDH1A1 (0.48) | CES2CES1PTGS2 | |
| Thiobenzoic Acid SCHEMBL6677660 | 0.85 | SMN1; SMN2 (0.43) | CES2CES1NAAAPTGS2KCNH2 | |
| Thiobenzoic Acid SCHEMBL28627503 | 0.82 | CES2 (0.58) | CES2CES1PTGS2ESR1 | |
| Thiobenzoic Acid SCHEMBL29020500 | 0.82 | PTGS2 (0.42) | CES2CES1NAAAPTGS2ESR1 | |
| Thiobenzoic Acid SCHEMBL28659756 | 0.81 | ALDH1A1 (0.44) | CES2CES1PTGS2 | |
| SCHEMBL5815659 | 0.81 | CES2 (0.58) | CES2CES1NAAAPTGS2EPHX2 | |
| SCHEMBL27910062 | 0.81 | CES2 (0.58) | CES2CES1NAAAPTGS2EPHX2 | |
| SCHEMBL29197159 | 0.81 | CES2 (0.58) | CES2CES1NAAAPTGS2EPHX2 | |
| Hexadecane SCHEMBL28850428 | 0.81 | CES2 (0.53) | CES2CES1NAAAPTGS2EPHX2 | |
| Thiobenzoic Acid SCHEMBL15282156 | 0.80 | ALDH1A1 (0.50) | CES2CES1PKM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104995250-B | Molecule has the rubber composition of double bond | 横滨橡胶株式会社 | 2016-12-14 | — | — | CN | claimed |
| CN-104995250-A | Rubber composition having double bond in each molecule | YOKOHAMA RUBBER CO LTD | 2015-10-21 | — | — | CN | claimed |
| CN-104995250-B | Molecule has the rubber composition of double bond | 横滨橡胶株式会社 | 2016-12-14 | — | — | CN | disclosed |
| CN-104995250-A | Rubber composition having double bond in each molecule | YOKOHAMA RUBBER CO LTD | 2015-10-21 | — | — | CN | disclosed |