Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 3/20 | 0.49 |
| ▸ | JAK2 | O60674 | 2/20 | 0.49 |
| ▸ | TYK2 | P29597 | 1/20 | 0.49 |
| ▸ | JAK3 | P52333 | 1/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP1 | P63208 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902295 | 1.00 | JAK1 (0.49) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL19902296 | 1.00 | JAK1 (0.49) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL17452520 | 0.86 | ROCK2 (0.57) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL17452517 | 0.86 | ROCK2 (0.57) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL19902689 | 0.81 | ROCK2 (0.46) | ROCK2ROCK1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19902690 | 0.81 | SMN1; SMN2 (0.44) | PARP1BTKDRD2ROCK2ROCK1 | |
| SCHEMBL19902322 | 0.80 | PARP1 (0.43) | JAK1JAK2KDM1AMAOBPARP1 | |
| SCHEMBL19902318 | 0.80 | ROCK1 (0.55) | JAK1JAK2TYK2JAK3PARP1 | |
| SCHEMBL20229515 | 0.79 | PARP1 (0.42) | JAK1JAK2KDM1AMAOBPARP1 | |
| SCHEMBL19902393 | 0.78 | ROCK2 (0.41) | PARP1ROCK2ROCK1ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2018-06-07 | — | — | US | disclosed |
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | JAK1 461/4885JAK2 1072/4885TYK2 1336/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.