Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1563876 | 0.87 | CYP3A4 (0.56) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL1898541 | 0.85 | CYP3A4 (0.54) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| Bicarbonate SCHEMBL5705252 | 0.82 | CYP3A4 (0.59) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| Bicarbonate SCHEMBL687626 | 0.82 | CYP3A4 (0.59) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL4830712 | 0.82 | CYP3A4 (0.51) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL29223395 | 0.82 | CYP3A4 (0.60) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL30589909 | 0.82 | CYP3A4 (0.65) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL584511 | 0.82 | CYP3A4 (0.60) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL973798 | 0.82 | CYP3A4 (0.55) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL28721576 | 0.81 | CYP3A4 (0.39) | CYP3A4TSHRTDP1ATML3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110687239-B | Method for measuring chromatographic response relative mass correction factor of impurity derivative in sample | 南通百川新材料有限公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-110687239-A | Method for determining relative quality correction factor of chromatographic response of impurity derivative of sample with low purity | 南通百川新材料有限公司 | 2020-01-14 | — | — | CN | disclosed |
| US-4313890-A | FREE RADICAL CATALYZED TELOMERIZATION OF ETHYLENE AND METHYL FORMATE TO BE TRANSESTERIFIED WITH A POLYOL | UNION CARBIDE CORPORATION (US) | 1982-02-02 | — | — | US | disclosed |