Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ARG1 | P05089 | 1/20 | 0.37 |
| ▸ | ARG2 | P78540 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL19637427 | 1.00 | MEN1 (0.44) | MEN1KMT2AALDH1A1ARG1ARG2 | |
| SCHEMBL14609400 | 0.80 | ALDH1A1 (0.47) | MEN1KMT2AALDH1A1SIGMAR1PKM | |
| SCHEMBL2137507 | 0.79 | ARG1 (0.43) | ARG1ARG2CYP2D6 | |
| SCHEMBL873559 | 0.79 | ARG1 (0.43) | ARG1ARG2CYP2D6 | |
| SCHEMBL877773 | 0.79 | ARG1 (0.43) | ARG1ARG2CYP2D6 | |
| SCHEMBL23178872 | 0.79 | MEN1 (0.40) | MEN1KMT2AALDH1A1SIGMAR1PKM | |
| SCHEMBL6214777 | 0.79 | ALDH1A1 (0.46) | MEN1KMT2AALDH1A1SIGMAR1PKM | |
| SCHEMBL1008629 | 0.78 | KDM4E (0.42) | ALDH1A1ARG1ARG2PKMCYP2D6 | |
| SCHEMBL1006825 | 0.78 | KDM4E (0.42) | ALDH1A1ARG1ARG2PKMCYP2D6 | |
| SCHEMBL12635338 | 0.78 | KDM4E (0.42) | ALDH1A1ARG1ARG2PKMCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458445-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2019-03-27 | — | — | EP | disclosed |
| WO-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |