Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9004804 | 0.81 | TDP1 (0.54) | GSK3BKMT2AMEN1CES2CES1 | |
| Benzene SCHEMBL27641543 | 0.79 | TSHR (0.52) | KMT2ANPC1RAB9AMEN1CES2 | |
| SCHEMBL28197933 | 0.79 | TSHR (0.52) | KMT2ANPC1RAB9AMEN1CES2 | |
| SCHEMBL26712 | 0.79 | TSHR (0.52) | KMT2ANPC1RAB9AMEN1CES2 | |
| SCHEMBL8103349 | 0.79 | GSK3B (0.61) | GSK3BPTPN1KMT2ANPC1MEN1 | |
| SCHEMBL28135287 | 0.79 | GSK3B (0.61) | GSK3BPTPN1KMT2ANPC1MEN1 | |
| Methoxymethane SCHEMBL27516601 | 0.78 | GSK3B (0.83) | GSK3BPTPN1KMT2ANPC1RAB9A | |
| SCHEMBL227355 | 0.78 | GSK3B (1.00) | GSK3BPTPN1KMT2ANPC1RAB9A | |
| Phenacyl Chloride SCHEMBL28106866 | 0.77 | GSK3B (0.70) | GSK3BPTPN1KMT2ANPC1RAB9A | |
| SCHEMBL10942359 | 0.76 | ALDH1A1 (0.54) | KMT2ANPC1RAB9AMEN1NPSR1 |
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-103936819-B | Hepatitis c virus inhibitors | 百时美施贵宝公司 | 2016-11-16 | — | — | CN | disclosed |