Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | CD38 | P28907 | 6/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | CTSV | O60911 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.39 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902714 | 0.90 | ROCK1 (0.58) | ROCK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17452887 | 0.89 | ROCK2 (0.56) | ROCK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19902586 | 0.85 | ROCK2 (0.45) | ROCK1ROCK2MAP3K5ALDH1A1L3MBTL1 | |
| SCHEMBL17452877 | 0.79 | ROCK2 (0.56) | ROCK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25135545 | 0.79 | NPC1 (0.55) | CD38ABL1CTSVCTSLCTSB | |
| SCHEMBL30363943 | 0.79 | NPC1 (0.55) | CD38ABL1CTSVCTSLCTSB | |
| SCHEMBL25135518 | 0.78 | KHK (0.50) | PDE4APDE4BPDE4CPDE4DCD38 | |
| SCHEMBL25135607 | 0.78 | RAB9A (0.57) | CD38ABL1CTSVCTSLCTSB | |
| Hydrochloric Acid SCHEMBL30363722 | 0.77 | KHK (0.49) | PDE4APDE4BPDE4CPDE4DCD38 | |
| SCHEMBL19902632 | 0.76 | KMT2A (0.51) | ROCK1ROCK2PRMT5L3MBTL1NPC1 |
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 | ROCK1 1/4885PDE4A 222/4885PDE4B 342/4885 |
“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.