Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 3/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL17277608 | 0.87 | NOS1 (0.45) | TAAR1NOS1NOS3NOS2LOXL2 | |
| SCHEMBL7896912 | 0.84 | LOXL2 (0.48) | CYP2A6NOS1NOS3NOS2LOXL2 | |
| SCHEMBL16958451 | 0.82 | NOS1 (0.40) | CYP2A6NOS1NOS3NOS2ALDH1A1 | |
| SCHEMBL7358317 | 0.81 | NOS1 (0.39) | CYP2A6NOS1NOS3NOS2BACE1 | |
| SCHEMBL27748133 | 0.81 | NOS1 (0.39) | CYP2A6NOS1NOS3NOS2ALDH1A1 | |
| SCHEMBL7358314 | 0.81 | NOS1 (0.39) | CYP2A6NOS1NOS3NOS2ALDH1A1 | |
| SCHEMBL537203 | 0.79 | TAAR1 (0.60) | TAAR1CYP2A6CYP1A2NOS1NOS3 | |
| SCHEMBL3849051 | 0.79 | TAAR1 (0.60) | TAAR1CYP2A6CYP1A2NOS1NOS3 | |
| SCHEMBL22477339 | 0.78 | CYP2A6 (0.39) | CYP2A6NOS1NOS3NOS2LOXL2 | |
| SCHEMBL11982666 | 0.78 | CYP2A6 (0.50) | CYP2A6NOS1NOS3NOS2LOXL2 |
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-4076418-A1 | SOS1 INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-10-26 | — | — | EP | disclosed |
| WO-2021127429-A1 | SOS1 INHIBITORS | Mirati Therapeutics, Inc. (US) | 2021-06-24 | — | — | WO | disclosed |