Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL492267 | 0.87 | PDGFRA (0.40) | PDGFRACDK5TYRO3NLRP3DYRK1A | |
| SCHEMBL20647036 | 0.86 | PDGFRA (0.41) | PDGFRACDK5TYRO3NLRP3DYRK1A | |
| SCHEMBL19127362 | 0.85 | ELANE (0.50) | PDGFRACDK5TYRO3NLRP3IRAK4 | |
| SCHEMBL20647033 | 0.84 | RBP4 (0.41) | ELANEATM | |
| SCHEMBL19149065 | 0.82 | ELANE (0.53) | ELANEALDH1A1SMN1; SMN2 | |
| SCHEMBL20647014 | 0.76 | BRD4 (0.50) | DYRK1A | |
| SCHEMBL20646747 | 0.76 | BRD4 (0.39) | DYRK1A | |
| SCHEMBL498685 | 0.75 | NLRP3 (0.46) | PDGFRACDK5TYRO3NLRP3ELANE | |
| SCHEMBL20740627 | 0.75 | ELANE (0.42) | PDGFRACDK5TYRO3NLRP3ELANE | |
| SCHEMBL24247743 | 0.75 | PDGFRA (0.44) | PDGFRACDK5TYRO3NLRP3IRAK4 |
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-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |