Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | JAK1 | P23458 | 2/20 | 0.36 |
| ▸ | TYK2 | P29597 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17452838 | 0.87 | ROCK2 (0.52) | NPC1RAB9AROCK2ROCK1AURKB | |
| SCHEMBL19902449 | 0.82 | ROCK1 (0.59) | NPC1RAB9AROCK2ROCK1JAK2 | |
| SCHEMBL4164018 | 0.82 | SMYD3 (0.43) | NPC1RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19902318 | 0.81 | ROCK1 (0.55) | NPC1RAB9AROCK2ROCK1JAK2 | |
| SCHEMBL19902689 | 0.79 | ROCK2 (0.46) | NPC1RAB9AROCK2ROCK1AURKB | |
| SCHEMBL19902546 | 0.78 | ROCK2 (0.61) | NPC1RAB9AROCK2ROCK1 | |
| SCHEMBL4707897 | 0.77 | MFN2 (0.41) | NPC1RAB9AJAK2JAK1TYK2 | |
| SCHEMBL4155148 | 0.77 | EPHX1 (0.44) | ALDH1A1 | |
| SCHEMBL19902690 | 0.76 | SMN1; SMN2 (0.44) | NPC1RAB9AROCK2ROCK1AURKB | |
| SCHEMBL1789261 | 0.75 | ATM (0.50) | NPC1RAB9AROCK2ROCK1ALDH1A1 |
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 | NPC1 2709/4885RAB9A 564/4885ROCK2 3/4885 |
“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.