Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | DGKA | P23743 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11625244 | 0.94 | CYP1A2 (0.55) | CYP1A2KMT2APOLBL3MBTL1CPB2 | |
| SCHEMBL28712162 | 0.93 | KMT2A (0.50) | CYP1A2KMT2APOLBCPB2TDP1 | |
| SCHEMBL27570319 | 0.93 | CYP3A4 (0.50) | CYP1A2KMT2APOLBL3MBTL1CPB2 | |
| SCHEMBL25405489 | 0.91 | CYP1A2 (0.52) | CYP1A2KMT2APOLBL3MBTL1CPB2 | |
| SCHEMBL28353551 | 0.89 | DGKA (0.52) | CYP1A2KMT2ACPB2TSHRDGKA | |
| SCHEMBL4827840 | 0.89 | DGKA (0.52) | CYP1A2KMT2ACPB2TSHRDGKA | |
| SCHEMBL9507708 | 0.89 | L3MBTL1 (0.51) | CYP1A2KMT2APOLBL3MBTL1CPB2 | |
| SCHEMBL9510257 | 0.87 | CYP1A2 (0.52) | CYP1A2KMT2APOLBL3MBTL1CPB2 | |
| SCHEMBL2022724 | 0.86 | DGKA (0.56) | KMT2ACPB2TSHRDGKAMAPT | |
| SCHEMBL11405747 | 0.86 | DGKA (0.52) | CYP1A2KMT2ACPB2TDP1CYP3A4 |
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-113318152-A | External composition for regulating estrogen secretion and preparation method and application thereof | 河北科技大学 | 2021-08-31 | — | — | CN | claimed |
| CN-113318152-A | External composition for regulating estrogen secretion and preparation method and application thereof | 河北科技大学 | 2021-08-31 | — | — | CN | disclosed |
| EP-0338427-B1 | PROCESS FOR THE PREPARATION OF ESTERS OLEFINIC UNSATURATED CARBOXYLIC ACIDS WITH A TERMINAL ESTER GROUP | BASF Aktiengesellschaft (DE) | 1993-08-18 | — | — | EP | disclosed |
| EP-0338427-A2 | Process for the preparation of esters olefinic unsaturated carboxylic acids with a terminal ester group | BASF Aktiengesellschaft (DE) | 1989-10-25 | — | — | EP | disclosed |