Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22709565 | 0.93 | ALDH1A1 (0.40) | HDAC9ALDH1A1 | |
| SCHEMBL22709350 | 0.93 | NOTUM (0.40) | HDAC9OPRL1TACR1TACR3NOTUM | |
| SCHEMBL24483073 | 0.87 | NOTUM (0.41) | HDAC9TACR1TACR3NOTUM | |
| SCHEMBL22709563 | 0.85 | KMT2A (0.39) | KDM1ANOTUM | |
| SCHEMBL22692094 | 0.85 | DGAT1 (0.44) | HTR2C | |
| SCHEMBL22692045 | 0.85 | DGAT1 (0.44) | HTR2C | |
| SCHEMBL22692046 | 0.85 | DGAT1 (0.44) | HTR2C | |
| SCHEMBL30067249 | 0.84 | CHRNA7 (0.35) | HDAC9OPRL1TACR1TACR3 | |
| SCHEMBL22709344 | 0.83 | ALDH1A1 (0.37) | HDAC9OPRL1TACR1TACR3ALDH1A1 | |
| SCHEMBL24483072 | 0.81 | SIGMAR1 (0.36) | HDAC9TACR1TACR3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022115439-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-06-02 | — | — | WO | disclosed |
| WO-2020236940-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-26 | — | — | WO | disclosed |