Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 12/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | HRH2 | P25021 | 1/20 | 0.47 |
| ▸ | HTR1B | P28222 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR1E | P28566 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23296608 | 0.84 | TMEM97 (0.47) | TMEM97SIGMAR1HRH1HRH3HTR1A | |
| SCHEMBL23296610 | 0.84 | TMEM97 (0.47) | TMEM97SIGMAR1HRH1HRH3HTR1A | |
| SCHEMBL25889397 | 0.83 | TMEM97 (0.49) | TMEM97SIGMAR1HRH1HRH3HTR1A | |
| SCHEMBL31703435 | 0.83 | TMEM97 (0.49) | TMEM97SIGMAR1HRH1HRH3HTR1A | |
| SCHEMBL31703372 | 0.82 | TMEM97 (0.48) | TMEM97SIGMAR1HRH1HRH3HTR1A | |
| SCHEMBL31228353 | 0.77 | TMEM97 (0.47) | TMEM97SIGMAR1HRH1HRH3HTR1A | |
| SCHEMBL5230804 | 0.76 | TMEM97 (0.52) | TMEM97SIGMAR1HRH1HRH3HTR1A | |
| SCHEMBL25249577 | 0.76 | NR1H2 (0.48) | TMEM97SIGMAR1HRH1HRH3HTR1A | |
| SCHEMBL19212232 | 0.75 | TMEM97 (0.57) | TMEM97SIGMAR1HRH1HRH3HTR1A | |
| SCHEMBL9727540 | 0.74 | NPSR1 (0.68) | TMEM97SIGMAR1HRH1HRH3HTR1A |
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-2024008610-A1 | MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2024-01-11 | — | — | WO | disclosed |
| WO-2023232776-A1 | HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2023-12-07 | — | — | WO | disclosed |