Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 4/20 | 0.41 |
| ▸ | NOS2 | P35228 | 4/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PRKX | P51817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10686979 | 0.81 | CYP1A2 (0.54) | TGFBR1NR4A2ALDH1A1NOS3NOS2 | |
| SCHEMBL18301007 | 0.78 | NOS2 (0.45) | TGFBR1NR4A2ALDH1A1NOS3NOS2 | |
| SCHEMBL11760409 | 0.76 | KMT2A (0.44) | ALDH1A1IDO1MAP4K4 | |
| SCHEMBL16006827 | 0.73 | CYP1A2 (0.54) | TGFBR1ALDH1A1NOS3NOS2NOS1 | |
| SCHEMBL10835918 | 0.71 | IDO1 (0.43) | ALDH1A1IDO1MAP4K4KDM4ECNR2 | |
| SCHEMBL14540948 | 0.70 | — | — | |
| SCHEMBL31470404 | 0.70 | — | — | |
| SCHEMBL10961604 | 0.70 | ALDH1A1 (0.52) | ALDH1A1IDO1CNR2 | |
| SCHEMBL21223370 | 0.70 | ALDH1A1 (0.46) | NR4A2ALDH1A1NOS3NOS2NOS1 | |
| SCHEMBL4511200 | 0.69 | TGFBR1 (0.50) | TGFBR1NOS3NOS2NOS1F12 |
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-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |