Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 3/20 | 0.36 |
| ▸ | F13A1 | P00488 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TGM1 | P22735 | 1/20 | 0.36 |
| ▸ | TGM3 | Q08188 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | OGG1 | O15527 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7681435 | 0.92 | ALOX15 (0.52) | TGM2F13A1LMNATGM1TGM3 | |
| SCHEMBL11619282 | 0.92 | KDM4E (0.41) | TGM2F13A1LMNATGM1TGM3 | |
| SCHEMBL11293244 | 0.81 | CYP19A1 (0.44) | CYP19A1CYP2C19SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL11372789 | 0.80 | CYP19A1 (0.43) | LMNACYP19A1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL29963919 | 0.76 | RAB9A (0.43) | TGM2LMNACYP19A1CYP2C19CES2 | |
| SCHEMBL4632476 | 0.76 | MEN1 (0.50) | CYP2A6LMNACYP19A1TSHRMAPK1 | |
| SCHEMBL1246315 | 0.76 | TRPV1 (0.32) | CA1CA2 | |
| SCHEMBL30193363 | 0.76 | TSHR (0.44) | TGM2LMNACYP19A1CA1CA2 | |
| SCHEMBL11850659 | 0.76 | KDM4E (0.42) | CYP2A6TGM2ALOX15CYP19A1CA1 | |
| SCHEMBL11850657 | 0.76 | KDM4E (0.42) | CYP2A6TGM2ALOX15CYP19A1CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805148-B | Synthesis method of beta-carbonyl sulfide compound | 陇东学院 | 2024-04-23 | — | — | CN | disclosed |
| CN-117362338-A | Method for preparing 3, 3-diaryl allyl substituted organic phosphonate compound | 湖南理工学院 | 2024-01-09 | — | — | CN | disclosed |
| CN-114805148-A | Synthesis method of beta-carbonyl thioether compound | 陇东学院 | 2022-07-29 | — | — | CN | disclosed |
| EP-1414778-A1 | NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC. | NOVO NORDISK A/S (DK) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003011807-A1 | NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC. | NOVO NORDISK A/S (DK) | 2003-02-13 | — | — | WO | disclosed |