Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.70 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | VCP | P55072 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL250688 | 0.83 | GSK3B (1.00) | GSK3BPTPN1RAB9AALDH1A1MAPT | |
| SCHEMBL227355 | 0.81 | GSK3B (1.00) | GSK3BPTPN1KMT2ANPC1RAB9A | |
| SCHEMBL6291931 | 0.78 | GSK3B (0.89) | GSK3BPTPN1RAB9A | |
| Acetonitrile SCHEMBL27927675 | 0.78 | GSK3B (0.76) | GSK3BPTPN1KMT2ANPC1RAB9A | |
| Phenacyl Chloride SCHEMBL28106866 | 0.78 | GSK3B (0.70) | GSK3BPTPN1KMT2ANPC1RAB9A | |
| Cyanate SCHEMBL27823565 | 0.76 | GSK3B (0.79) | GSK3BPTPN1KMT2AMEN1ALDH1A1 | |
| Methylsulfanylmethane SCHEMBL28782225 | 0.76 | GSK3B (0.88) | GSK3BPTPN1KMT2ANPC1RAB9A | |
| SCHEMBL8213015 | 0.76 | GSK3B (0.88) | GSK3BPTPN1KMT2ANPC1RAB9A | |
| Benzonitrile SCHEMBL2153877 | 0.75 | ALDH1A1 (0.80) | KMT2AMEN1VCPALDH1A1CYP2A6 | |
| Water SCHEMBL28144749 | 0.75 | GSK3B (0.95) | GSK3BPTPN1KMT2AMEN1ALDH1A1 |
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 |