Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | HTR2B | P41595 | 3/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | SORD | Q00796 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL31087005 | 0.83 | SORD (0.41) | HTR2AHTR2CHTR2BGSK3BSLC6A2 | |
| SCHEMBL38661062 | 0.81 | SLC6A2 (0.47) | HTR2AHTR2CHTR2BSLC6A2SLC6A4 | |
| SCHEMBL31087030 | 0.80 | CYP2D6 (0.48) | HTR2AHTR2CHTR2BGSK3BSLC6A2 | |
| SCHEMBL15106791 | 0.75 | GSK3B (0.40) | HTR2AHTR2CHTR2BGSK3BSORD | |
| SCHEMBL10739842 | 0.73 | GSK3B (0.41) | HTR2AHTR2CHTR2BGSK3BSORD | |
| SCHEMBL22208103 | 0.72 | CHRNA7 (0.35) | CHRNA7KCNH2 | |
| SCHEMBL30064797 | 0.72 | CHRNA7 (0.35) | CHRNA7KCNH2 | |
| SCHEMBL27325669 | 0.72 | GSK3B (0.39) | HTR2AHTR2CHTR2BGSK3BSORD | |
| SCHEMBL9371314 | 0.70 | GSK3B (0.42) | HTR2AHTR2CHTR2BGSK3BSORD | |
| Hydrochloric Acid SCHEMBL28786370 | 0.70 | HDAC8 (0.47) | HTR2AHTR2CHTR2BGSK3BSLC6A2 |
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-3458445-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2019-03-27 | — | — | EP | disclosed |
| WO-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |