Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | TYK2 | P29597 | 3/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL19902604 | 0.92 | ROCK2 (0.40) | ROCK2ROCK1TGFBR1TYK2PDE4B | |
| SCHEMBL17452939 | 0.90 | ROCK2 (0.56) | ROCK2ROCK1GRIN1GRIN2BPARP1 | |
| SCHEMBL19902451 | 0.85 | ROCK1 (0.44) | ROCK2ROCK1TGFBR1CSF1RPARP1 | |
| SCHEMBL19902519 | 0.84 | TGFBR1 (0.46) | ROCK2ROCK1TGFBR1ABL1 | |
| SCHEMBL19902643 | 0.84 | ROCK2 (0.38) | ROCK2ROCK1PDE4BPARP1HSD17B10 | |
| SCHEMBL19902516 | 0.82 | ROCK2 (0.43) | ROCK2ROCK1TGFBR1TYK2PDE4B | |
| SCHEMBL19902518 | 0.82 | CSF1R (0.46) | ROCK2ROCK1TGFBR1CSF1RPARP1 | |
| SCHEMBL19902368 | 0.82 | ROCK1 (0.49) | ROCK2ROCK1TGFBR1CSF1RPARP1 | |
| SCHEMBL17452922 | 0.81 | ROCK2 (0.53) | ROCK2ROCK1PARP1 | |
| SCHEMBL19902489 | 0.80 | ROCK2 (0.40) | ROCK2ROCK1TYK2 |
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 3/4885ROCK1 1/4885GRIN1 2538/4885 |
“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.