Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.58 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.39 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.37 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.37 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.37 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452899 | 0.88 | ROCK2 (0.58) | ROCK1SMYD3ROCK2PDCD1CD274 | |
| SCHEMBL19902714 | 0.83 | ROCK1 (0.58) | ROCK1ROCK2RAB9AMAPTTAOK1 | |
| SCHEMBL19902383 | 0.79 | CYP1A2 (0.48) | SMYD3ROCK2RAB9AMAPTNPC1 | |
| SCHEMBL19902605 | 0.78 | CCNC (0.55) | ROCK1SMYD3ROCK2RAB9ANPC1 | |
| SCHEMBL19902586 | 0.76 | ROCK2 (0.45) | ROCK1ROCK2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL19902349 | 0.76 | MEN1 (0.44) | ROCK1SMYD3ROCK2RAB9ANPC1 | |
| SCHEMBL19902577 | 0.76 | NPC1 (0.44) | ROCK1SMYD3ROCK2RAB9ANPC1 | |
| SCHEMBL19902492 | 0.76 | TAOK1 (0.44) | ROCK1SMYD3ROCK2RAB9ATAOK1 | |
| SCHEMBL19902627 | 0.76 | PARP1 (0.54) | ROCK2KMT2AMEN1DRD2HTR2A | |
| SCHEMBL19902582 | 0.76 | ROCK1 (0.47) | ROCK1ROCK2RAB9ANPC1SMN1; SMN2 |
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 1/4885SMYD3 1799/4885ROCK2 3/4885 |
“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.