Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22692132 | 1.00 | MAPT (0.38) | MAPTNPSR1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL22692122 | 0.94 | BRD4 (0.39) | MAPTNPSR1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL29423722 | 0.94 | BRD4 (0.39) | MAPTNPSR1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL9344111 | 0.90 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2NOTUMGAABRD4 | |
| SCHEMBL8535967 | 0.84 | BRD4 (0.43) | ALDH1A1SMN1; SMN2NOTUMGAABRD4 | |
| SCHEMBL13998334 | 0.82 | SMN1; SMN2 (0.40) | MAPTALDH1A1SMN1; SMN2NOTUMGAA | |
| SCHEMBL9505686 | 0.82 | OPRM1 (0.41) | ALDH1A1SMN1; SMN2LMNATDP1KDM4E | |
| SCHEMBL22709892 | 0.81 | ALDH1A1 (0.40) | MAPTNPSR1ALDH1A1SMN1; SMN2NOTUM | |
| SCHEMBL29423670 | 0.81 | ALDH1A1 (0.40) | MAPTNPSR1ALDH1A1SMN1; SMN2NOTUM | |
| SCHEMBL28715001 | 0.81 | ALDH1A1 (0.40) | MAPTNPSR1ALDH1A1SMN1; SMN2NOTUM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022115439-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-06-02 | — | — | WO | disclosed |
| EP-3972978-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-03-30 | — | — | EP | disclosed |
| CN-114096544-A | KRAS G12C inhibitors and uses thereof | 加州理工学院 | 2022-02-25 | — | — | CN | disclosed |