Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 13/20 | 0.34 |
| ▸ | BCHE | P06276 | 7/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL19637076 | 0.77 | HDAC1 (0.35) | MEN1KMT2AHSP90AA1HSP90B1HDAC1 | |
| SCHEMBL899058 | 0.67 | NR5A1 (0.43) | — | |
| SCHEMBL25384494 | 0.65 | NR5A1 (0.47) | — | |
| SCHEMBL11009919 | 0.65 | NR5A1 (0.47) | — | |
| SCHEMBL11587263 | 0.65 | NR5A1 (0.47) | — | |
| SCHEMBL19637079 | 0.65 | HTT (0.32) | — | |
| SCHEMBL13530369 | 0.63 | CYP3A4 (0.33) | — | |
| SCHEMBL11836346 | 0.62 | LTA4H (0.41) | MEN1KMT2A | |
| SCHEMBL677761 | 0.62 | LTA4H (0.41) | MEN1KMT2A | |
| SCHEMBL598441 | 0.61 | CYP2D6 (0.43) | — |
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 |