Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 9/20 | 0.56 |
| ▸ | HTR1D | P28221 | 2/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.55 |
| ▸ | HRH1 | P35367 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.47 |
| ▸ | GLRB | P48167 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SCN1A | P35498 | 2/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17486854 | 0.81 | HTR1B (0.49) | HTR1BHTR1DSLC6A4HRH1ALDH1A1 | |
| SCHEMBL19287497 | 0.76 | BCHE (0.54) | ALDH1A1KDM4EHPGDLMNAGAA | |
| SCHEMBL17486847 | 0.75 | HTR1B (0.56) | HTR1BHTR1DSLC6A4HRH1ALDH1A1 | |
| SCHEMBL16055874 | 0.74 | GLRA3 (0.53) | HTR1BHTR1DSLC6A4HRH1ALDH1A1 | |
| SCHEMBL27888155 | 0.74 | HTR1B (0.62) | HTR1BHTR1DSLC6A4HRH1ALDH1A1 | |
| SCHEMBL9809169 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDKMT2AMEN1 | |
| SCHEMBL9307534 | 0.74 | MAPK1 (0.65) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL6846952 | 0.73 | HTR1B (1.00) | HTR1BHTR1DSLC6A4HRH1ALDH1A1 | |
| SCHEMBL30756664 | 0.73 | HTR1B (1.00) | HTR1BHTR1DSLC6A4HRH1ALDH1A1 | |
| SCHEMBL9242840 | 0.72 | CYP3A4 (0.63) | ALDH1A1KDM4EKMT2AMEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9745319-B2 | Irreversible covalent inhibitors of the GTPase K-Ras G12C | ARAXES PHARMA LLC (US) | 2017-08-29 | — | — | US | disclosed |