Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17230076 | 0.89 | GRIN2B (0.48) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL13814763 | 0.81 | BCL2 (0.57) | MGLLBCL2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL166894 | 0.81 | TP53 (0.61) | MGLLTP53BCL2RAPGEF4SMN1; SMN2 | |
| SCHEMBL18758459 | 0.78 | GRIN2D (0.45) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL21896408 | 0.78 | TP53 (0.42) | MGLLTP53GRIN2DGRIN3BGRIN1 | |
| SCHEMBL12996465 | 0.78 | TAAR1 (0.50) | IDO1 | |
| SCHEMBL11289366 | 0.78 | NOS1 (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6756120 | 0.78 | TP53 (0.42) | MGLLTP53GRIN2DGRIN3BGRIN1 | |
| Benzene SCHEMBL9785236 | 0.78 | TP53 (0.67) | MGLLTP53BCL2RAPGEF4SMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL28805948 | 0.78 | TP53 (0.58) | MGLLTP53BCL2RAPGEF4SMN1; SMN2 |
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-3717475-B1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | ICAHN SCHOOL MED MOUNT SINAI (US) | 2023-06-07 | — | — | EP | disclosed |