Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22994710 | 0.73 | NUDT1 (0.41) | NUDT1KDM4EALDH1A1HRH4KCNH2 | |
| SCHEMBL19453383 | 0.73 | PKM (0.38) | KDM4EALDH1A1MAPTNPC1KMT2A | |
| Hydrazine SCHEMBL9427083 | 0.71 | HRH4 (0.43) | NUDT1KDM4EALDH1A1HRH4HTR2C | |
| SCHEMBL12661856 | 0.69 | L3MBTL1 (0.38) | KDM4EALDH1A1MAPTHTR2AHTR2C | |
| SCHEMBL1775878 | 0.68 | HRH4 (0.52) | NUDT1HRH4KCNH2HRH3 | |
| SCHEMBL30917635 | 0.66 | NUDT1 (0.45) | NUDT1KDM4EALDH1A1MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL7298084 | 0.65 | HTR2C (0.65) | ADRB1HRH4HTR2C | |
| SCHEMBL22011296 | 0.65 | KDM4E (0.35) | KDM4EALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL19637521 | 0.64 | ADRB1 (0.46) | ADRB1KDM4EALDH1A1HRH4HTR2A | |
| SCHEMBL13875848 | 0.64 | ADRB1 (0.41) | ADRB1KDM4EALDH1A1HRH4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |