Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ATP4A | P20648 | 2/20 | 0.34 |
| ▸ | ATP4B | P51164 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 5/20 | 0.33 |
| ▸ | DRD3 | P35462 | 5/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL19637079 | 0.87 | HTT (0.32) | KDM4EALDH1A1TLR8 | |
| SCHEMBL22994841 | 0.85 | KDM4E (0.38) | KDM4EALDH1A1TLR8HRH3 | |
| SCHEMBL19637369 | 0.81 | HTT (0.35) | — | |
| SCHEMBL19636917 | 0.77 | HRH3 (0.42) | ALDH1A1HRH3 | |
| SCHEMBL22994768 | 0.73 | KDM4E (0.32) | KDM4E | |
| SCHEMBL19637394 | 0.72 | ABCB11 (0.32) | TDP1TLR8 | |
| SCHEMBL19637255 | 0.72 | HTT (0.34) | — | |
| SCHEMBL21912065 | 0.71 | KDM4E (0.34) | KDM4EALDH1A1 | |
| SCHEMBL19637446 | 0.69 | KDM4E (0.36) | KDM4EALDH1A1 | |
| SCHEMBL22087278 | 0.67 | — | — |
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 |