Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 7/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | PTGES | O14684 | 5/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24680259 | 0.81 | ESR1 (0.48) | MAPTTSHRESR1ESR2 | |
| SCHEMBL29080067 | 0.80 | PPARA (0.34) | TBXA2RPTGES2KDM4ECYP2C9HSD17B10 | |
| SCHEMBL26058906 | 0.72 | ESR1 (0.38) | TBXA2RKDM4ECYP2C9HSD17B10CYP1A2 | |
| SCHEMBL29080200 | 0.71 | ELANE (0.38) | CYP3A4HIF1AESR1ESR2LMNA | |
| SCHEMBL24663180 | 0.70 | CYP3A4 (0.47) | TBXA2RCYP3A4ESR1ESR2 | |
| SCHEMBL24535006 | 0.69 | ESR1 (0.46) | ESR1ESR2 | |
| SCHEMBL24176030 | 0.67 | GABRA1 (0.40) | TBXA2RCYP3A4ESR1ESR2LMNA | |
| SCHEMBL31609498 | 0.67 | ESR1 (0.39) | TBXA2RCYP3A4ESR1ESR2 | |
| SCHEMBL26059134 | 0.67 | ESR1 (0.39) | TBXA2RCYP3A4ESR1ESR2 | |
| SCHEMBL26060359 | 0.67 | ESR1 (0.49) | KDM4EHSD17B10MAPTESR1ESR2 |
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-116829151-A | Azaquinazoline pan KRAS inhibitors | 米拉蒂治疗股份有限公司 | 2023-09-29 | — | — | CN | disclosed |