Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | SCD | O00767 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL17452583 | 0.89 | ROCK2 (0.55) | ALDH1A1LMNAHTTROCK2GAA | |
| SCHEMBL19902360 | 0.78 | ROCK2 (0.41) | ALDH1A1LMNAHTTROCK2MAPK1 | |
| SCHEMBL19902709 | 0.75 | PARP1 (0.50) | ROCK2ROCK1PARP1 | |
| SCHEMBL17452524 | 0.73 | ROCK2 (0.59) | ALDH1A1LMNAHTTROCK2MAPK1 | |
| SCHEMBL19902698 | 0.72 | ROCK2 (0.49) | ALDH1A1LMNAROCK2MAPK1CYP1A2 | |
| SCHEMBL19902383 | 0.72 | CYP1A2 (0.48) | ALDH1A1LMNAROCK2GAAMAPK1 | |
| SCHEMBL19902630 | 0.72 | F10 (0.49) | — | |
| SCHEMBL19902505 | 0.72 | NPC1 (0.41) | ALDH1A1ROCK2SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL19902689 | 0.71 | ROCK2 (0.46) | ALDH1A1LMNAROCK2SMN1; SMN2CYP1A2 | |
| SCHEMBL19902487 | 0.71 | ROCK2 (0.42) | ALDH1A1LMNAROCK2MAPK1CHRM4 |
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 | ALDH1A1 1252/4885LMNA 1620/4885HTT 3108/4885 |
“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.