Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 20/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452953 | 0.89 | ROCK2 (0.54) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL19902505 | 0.81 | NPC1 (0.41) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL19902701 | 0.79 | ROCK2 (0.42) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL19902334 | 0.79 | ALDH1A1 (0.57) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL19902350 | 0.79 | ALDH1A1 (0.57) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL19902526 | 0.78 | HTR4 (0.53) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL19902720 | 0.76 | ALDH1A1 (0.43) | CYP3A4CYP2D6 | |
| SCHEMBL19902690 | 0.76 | SMN1; SMN2 (0.44) | CYP3A4 | |
| SCHEMBL19902345 | 0.75 | ROCK1 (0.53) | — | |
| SCHEMBL19902713 | 0.75 | TNKS (0.50) | HTR4CYP2D6 |
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 | HTR4 3613/4885CYP3A4 1654/4885CYP2D6 1293/4885 |
“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.