Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31356450 | 1.00 | HRH3 (0.47) | HRH3CES2CES1HPGDBTK | |
| SCHEMBL28172293 | 1.00 | HRH3 (0.47) | HRH3CES2CES1HPGDBTK | |
| SCHEMBL1409272 | 1.00 | HRH3 (0.47) | HRH3CES2CES1HPGDBTK | |
| SCHEMBL1764699 | 0.98 | HRH3 (0.49) | HRH3CES2CES1HPGDBTK | |
| Hydrochloric Acid SCHEMBL27793145 | 0.95 | HRH3 (0.47) | HRH3CES2CES1HPGDBTK | |
| SCHEMBL11752523 | 0.95 | HRH3 (0.47) | HRH3CES2CES1HPGDBTK | |
| SCHEMBL1690233 | 0.93 | HRH3 (0.49) | HRH3HPGDBTKSMN1; SMN2GAA | |
| SCHEMBL7891258 | 0.92 | BTK (0.50) | HRH3CES2CES1HPGDBTK | |
| SCHEMBL29176769 | 0.89 | HRH3 (0.41) | HRH3CES2CES1HPGDBTK | |
| SCHEMBL1295721 | 0.88 | HRH3 (0.51) | HRH3HPGDBTKSMN1; SMN2GAA |
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-113637005-A | KRAS inhibitors for cancer treatment | 泰励生物科技（上海）有限公司 | 2021-11-12 | — | — | CN | disclosed |