Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4628579 | 0.95 | TSHR (0.56) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL4628293 | 0.93 | TSHR (0.56) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL776413 | 0.91 | TSHR (0.64) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL27839342 | 0.90 | TSHR (0.54) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL4627463 | 0.89 | TSHR (0.51) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL27452378 | 0.89 | TSHR (0.63) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28777482 | 0.87 | TSHR (0.62) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL21113713 | 0.87 | ALDH1A1 (0.59) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL4627298 | 0.87 | ALDH1A1 (0.53) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL11153532 | 0.86 | ALDH1A1 (0.61) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 |
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-109422970-A | A kind of high gas-obstructing character thermoplastic sulfurized rubber and preparation method thereof | 北京化工大学 | 2019-03-05 | — | — | CN | disclosed |