Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20326529 | 0.79 | GABRA1 (0.44) | TSHRSLC6A2GABRA1GABRB2P2RX7 | |
| SCHEMBL16233655 | 0.77 | HSD11B1 (0.39) | ACHEGAAGABRA1GABRB2ALDH1A1 | |
| SCHEMBL18262837 | 0.76 | GABRA1 (0.58) | ESR1TSHRSLC6A2GAAADRA2A | |
| SCHEMBL19196670 | 0.76 | ADRB2 (0.42) | TSHRACP3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25214138 | 0.76 | ESR1 (0.45) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL12037328 | 0.76 | ESR1 (0.45) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL10150476 | 0.76 | ESR1 (0.45) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL28688991 | 0.76 | ESR1 (0.45) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL17297902 | 0.73 | ESR1 (0.52) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL13405964 | 0.73 | GABRA1 (0.56) | ESR1TSHRSLC6A2GABRA1GABRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3790886-B1 | KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER | AMGEN INC (US) | 2024-06-26 | — | — | EP | disclosed |
| EP-3558955-B1 | BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER | AMGEN INC (US) | 2021-08-11 | — | — | EP | disclosed |