Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | DGKA | P23743 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL10355199 | 0.95 | TSHR (0.59) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Dibutyl Sebacate SCHEMBL27647862 | 0.95 | TSHR (0.69) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL27969431 | 0.91 | TSHR (0.64) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Adipic Acid SCHEMBL10398044 | 0.91 | ALDH1A1 (0.73) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| SCHEMBL10790805 | 0.91 | TSHR (0.55) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| SCHEMBL11774105 | 0.90 | ALDH1A1 (0.51) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL5442923 | 0.90 | TSHR (0.81) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL28119697 | 0.90 | TSHR (0.81) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL11523616 | 0.90 | TSHR (0.81) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| SCHEMBL25906609 | 0.89 | ALDH1A1 (0.66) | TSHRTDP1L3MBTL1CYP3A4MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115197405-B | Degradable PBSeT copolyester material with water vapor barrier property based on furan ring and preparation method thereof | 中北大学 | 2023-05-26 | — | — | CN | disclosed |