Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17437999 | 0.90 | CYP1A2 (0.37) | CYP1A2HRH3EIF4A3ROCK2MGLL | |
| SCHEMBL21947217 | 0.89 | CYP1A2 (0.39) | CYP1A2HRH3FFAR1KDM4EALDH1A1 | |
| SCHEMBL17452662 | 0.89 | HRH3 (0.36) | CYP1A2HRH3FFAR1EIF4A3ROCK2 | |
| SCHEMBL24247854 | 0.85 | CYP1A2 (0.36) | CYP1A2HRH3FFAR1ROCK2 | |
| SCHEMBL17454511 | 0.84 | KAT2B (0.39) | HRH3ROCK2 | |
| SCHEMBL17454461 | 0.82 | HRH3 (0.39) | HRH3ROCK2MGLL | |
| SCHEMBL17437998 | 0.81 | ROCK2 (0.35) | EIF4A3ROCK2MGLLIRAK4 | |
| SCHEMBL17454408 | 0.80 | ACACB (0.41) | — | |
| SCHEMBL17454418 | 0.80 | ROCK2 (0.41) | ROCK2 | |
| SCHEMBL17454359 | 0.78 | ROCK2 (0.40) | ALDH1A1GAAEIF4A3ROCK2IRAK4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| US-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2018-06-07 | — | — | US | disclosed |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY | 2016-01-21 | — | — | 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 (2 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 | CYP1A2 915/4885GRM4 2859/4885HRH3 3222/4885 |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | CYP1A2 915/4885GRM4 2859/4885HRH3 3222/4885 |
“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.