Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | PRKCZ | Q05513 | 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 | |
|---|---|---|---|---|
| SCHEMBL4531509 | 1.00 | CYP3A4 (0.46) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9871846 | 0.90 | CYP3A4 (0.46) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL17301339 | 0.84 | BACE1 (0.41) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL637008 | 0.81 | CYP3A4 (0.50) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL31732851 | 0.81 | CYP3A4 (0.50) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29556272 | 0.81 | NOS1 (0.41) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL26011167 | 0.80 | BACE1 (0.33) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30545244 | 0.80 | BACE1 (0.33) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL31038488 | 0.76 | JAK2 (0.45) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4087754 | 0.76 | JAK2 (0.45) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 |
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 |