Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 3/20 | 0.61 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | UNG | P13051 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10068717 | 0.85 | CA12 (0.44) | TPMTHCAR1TP53TDP1ALDH1A1 | |
| SCHEMBL3108438 | 0.85 | CA12 (0.44) | TPMTHCAR1TP53TDP1ALDH1A1 | |
| SCHEMBL1174923 | 0.82 | TPMT (0.64) | TPMTHCAR1HCAR2RXRARXRB | |
| Acrylic Acid SCHEMBL30431347 | 0.81 | LMNA (0.46) | TPMTHCAR1RXRARXRBTP53 | |
| SCHEMBL16957687 | 0.79 | CNR2 (0.47) | TP53TDP1ALDH1A1CNR2CA12 | |
| SCHEMBL13431761 | 0.78 | TPMT (0.59) | TPMTHCAR1HCAR2RXRARXRB | |
| SCHEMBL221684 | 0.78 | TPMT (1.00) | TPMTHCAR1HCAR2RXRARXRB | |
| SCHEMBL40661 | 0.78 | TPMT (0.89) | TPMTHCAR1HCAR2RXRARXRB | |
| SCHEMBL31068647 | 0.78 | CA12 (0.60) | HCAR1TP53TDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5206783 | 0.77 | TPMT (0.57) | TPMTHCAR1HCAR2RXRARXRB |
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-107501142-B | Restore chemical linkers and its preparation and purposes of the response type containing double disulfide bond | 厦门大学 | 2019-11-08 | — | — | CN | disclosed |