Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | DBH | P09172 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HAT1 | O14929 | 12/20 | 0.32 |
| ▸ | EP300 | Q09472 | 12/20 | 0.32 |
| ▸ | JAK2 | O60674 | 2/20 | 0.30 |
| ▸ | JAK1 | P23458 | 2/20 | 0.30 |
| ▸ | TYK2 | P29597 | 2/20 | 0.30 |
| ▸ | JAK3 | P52333 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454510 | 0.84 | ALDH1A1 (0.37) | KDM4EGAAJAK2JAK1TYK2 | |
| SCHEMBL17438073 | 0.82 | KDM4E (0.37) | HTTKDM4EALDH1A1 | |
| SCHEMBL20229612 | 0.76 | HTT (0.38) | TSHRHTTKDM4EALDH1A1 | |
| SCHEMBL17452658 | 0.75 | XDH (0.41) | LMNAHTT | |
| SCHEMBL17452657 | 0.74 | KEAP1 (0.38) | KDM4EDBHGAARECQLALDH1A1 | |
| SCHEMBL17452697 | 0.72 | HAT1 (0.48) | TSHRLMNAHTTHAT1EP300 | |
| SCHEMBL17452668 | 0.68 | EPHB3 (0.38) | HAT1EP300JAK2JAK1TYK2 | |
| SCHEMBL17321386 | 0.66 | ALDH1A1 (0.52) | TSHRLMNAHTTKDM4EGAA | |
| SCHEMBL17452738 | 0.65 | HAT1 (0.43) | LMNAHTTHAT1EP300 | |
| SCHEMBL28553049 | 0.65 | KDM4E (0.39) | KDM4EALDH1A1 |
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 4 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 |
| 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 | TSHR 1625/4885LMNA 1620/4885HTT 3108/4885 |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | TSHR 1625/4885LMNA 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.