Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 6/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13209332 | 0.89 | NOTUM (0.51) | AKT1NOTUMP2RY1SLC6A2SLC6A4 | |
| SCHEMBL12715915 | 0.85 | NOTUM (0.54) | AKT1NOTUMP2RY1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL7497468 | 0.81 | NOTUM (0.39) | AKT1NOTUMSLC6A2SLC6A4FFAR1 | |
| SCHEMBL22003919 | 0.81 | NOTUM (0.42) | AKT1NOTUMSLC6A2SLC6A4FFAR1 | |
| SCHEMBL13518854 | 0.81 | AKT1 (0.47) | AKT1NOTUMP2RY1SLC6A2SLC6A4 | |
| SCHEMBL31707401 | 0.80 | SLC18A3 (0.50) | AKT1NOTUMP2RY1ROCK2ROCK1 | |
| SCHEMBL1587507 | 0.80 | SLC18A3 (0.50) | AKT1NOTUMP2RY1ROCK2ROCK1 | |
| SCHEMBL13518853 | 0.80 | NOTUM (0.41) | AKT1NOTUMP2RY1SLC6A2SLC6A4 | |
| SCHEMBL20260798 | 0.80 | AKT1 (0.35) | AKT1CYP1A2CYP3A4CYP2D6SIGMAR1 | |
| Hydrochloric Acid SCHEMBL28998916 | 0.79 | SLC18A3 (0.49) | AKT1NOTUMP2RY1ROCK2ROCK1 |
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 5 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-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 |
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | 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 | AKT1 73/4885NOTUM 2786/4885P2RY1 1941/4885 |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | AKT1 73/4885NOTUM 2786/4885P2RY1 1941/4885 |
“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.