Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 2-Hydroxybenzoic Acid Butyl Ester SCHEMBL1871337 | 0.93 | TSHR (0.65) | TSHRTDP1L3MBTL1LMNACYP3A4 | |
| 2-Hydroxybenzoic Acid Butyl Ester SCHEMBL21753665 | 0.86 | TSHR (0.75) | TSHRTDP1L3MBTL1LMNACYP3A4 | |
| 2-Hydroxybenzoic Acid Butyl Ester SCHEMBL27913511 | 0.86 | TSHR (0.75) | TSHRTDP1L3MBTL1LMNACYP3A4 | |
| 2-Hydroxybenzoic Acid Butyl Ester SCHEMBL29672357 | 0.86 | TSHR (0.75) | TSHRTDP1L3MBTL1LMNACYP3A4 | |
| 2-Hydroxybenzoic Acid Butyl Ester SCHEMBL62565 | 0.86 | TSHR (0.80) | TSHRTDP1L3MBTL1LMNACYP3A4 | |
| 2-Hydroxybenzoic Acid Butyl Ester SCHEMBL29421150 | 0.86 | TSHR (0.80) | TSHRTDP1L3MBTL1LMNACYP3A4 | |
| Dibutyl Phthalate SCHEMBL3674111 | 0.85 | TSHR (0.78) | TSHRTDP1L3MBTL1LMNACYP3A4 | |
| SCHEMBL11996440 | 0.85 | TSHR (0.78) | TSHRTDP1L3MBTL1LMNACYP3A4 | |
| Dibutyl Phthalate SCHEMBL30766113 | 0.85 | TSHR (0.78) | TSHRTDP1L3MBTL1LMNACYP3A4 | |
| SCHEMBL31091275 | 0.85 | TSHR (0.78) | TSHRTDP1L3MBTL1LMNACYP3A4 |
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-101857546-B | Method for producing diaryl carbonates or alkyl aryl carbonates from dialkyl carbonates | BAYER MATERIALSCIENCE AG (DE) | 2015-10-07 | — | — | CN | disclosed |
| CN-101857546-A | Method for producing diaryl carbonates or alkyl aryl carbonates from dialkyl carbonates | BAYER MATERIALSCIENCE AG | 2010-10-13 | — | — | CN | disclosed |