Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | CCR9 | P51686 | 4/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.34 |
| ▸ | CCR2 | P41597 | 2/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22374764 | 1.00 | NPC1 (0.44) | NPC1CNR2MAPTKLKB1CCR9 | |
| SCHEMBL22374425 | 0.89 | NPC1 (0.43) | NPC1CNR2MAPTKLKB1F11 | |
| SCHEMBL30983254 | 0.89 | NPC1 (0.51) | NPC1CNR2MAPT | |
| SCHEMBL22555241 | 0.86 | NPC1 (0.41) | NPC1CNR2MAPTALDH1A1POLB | |
| SCHEMBL20321219 | 0.82 | CCR9 (0.40) | NPC1MAPTKLKB1CCR9MCL1 | |
| SCHEMBL30622451 | 0.81 | CCR2 (0.53) | NPC1MCL1CCR2ALDH1A1CYP1A2 | |
| SCHEMBL23418448 | 0.81 | NPC1 (0.42) | NPC1CNR2MAPTKLKB1MCL1 | |
| SCHEMBL22220337 | 0.81 | NPC1 (0.41) | NPC1CNR2MAPT | |
| SCHEMBL10329162 | 0.80 | NPC1 (0.40) | NPC1MAPT | |
| SCHEMBL2053661 | 0.78 | CNR2 (0.46) | NPC1CNR2CCR9MCL1NTRK1 |
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-4087573-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-11-16 | — | — | EP | disclosed |