Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452600 | 0.91 | ROCK2 (0.53) | ROCK2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19902343 | 0.78 | ALDH1A1 (0.43) | ROCK2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19902350 | 0.73 | ALDH1A1 (0.57) | ROCK2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19902334 | 0.73 | ALDH1A1 (0.57) | ROCK2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19902698 | 0.73 | ROCK2 (0.49) | ROCK2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19902563 | 0.73 | USP30 (0.45) | ROCK2USP30ROCK1 | |
| SCHEMBL19902584 | 0.73 | USP30 (0.45) | ROCK2USP30ROCK1 | |
| SCHEMBL17452525 | 0.72 | ROCK2 (0.59) | ROCK2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19902505 | 0.71 | NPC1 (0.41) | ROCK2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19902630 | 0.71 | F10 (0.49) | — |
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 | ROCK2 3/4885ALDH1A1 1252/4885CYP1A2 915/4885 |
“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.