Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22994731 | 0.77 | NUDT1 (0.38) | NUDT1ALDH1A1 | |
| SCHEMBL19637221 | 0.73 | ADRB1 (0.47) | NUDT1KCNH2HRH4HRH3KDM4E | |
| SCHEMBL22724626 | 0.69 | CHRNB2 (0.39) | KCNH2HRH4HRH3KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL7299198 | 0.67 | HTR2C (0.43) | HRH4 | |
| SCHEMBL13875846 | 0.67 | TLR7 (0.41) | ALDH1A1MEN1KMT2A | |
| Hydrazine SCHEMBL9427083 | 0.65 | HRH4 (0.43) | NUDT1KCNH2HRH4HRH3KDM4E | |
| SCHEMBL19637255 | 0.65 | HTT (0.34) | HPGDTSHR | |
| SCHEMBL1775878 | 0.65 | HRH4 (0.52) | NUDT1KCNH2HRH4HRH3 | |
| SCHEMBL7973587 | 0.62 | SLC29A1 (0.53) | KDM4EALDH1A1HPGDTDP1PDE10A | |
| SCHEMBL13116675 | 0.62 | HTR2C (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458445-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2021-02-17 | — | — | EP | disclosed |