Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452822 | 0.89 | ROCK2 (0.54) | RIPK1CNR2NUDT1ROCK2ACKR3 | |
| SCHEMBL19902458 | 0.87 | SCN4A (0.48) | ROCK2MAPK8MEN1NPC1KMT2A | |
| SCHEMBL19902699 | 0.84 | PLA2G7 (0.53) | ROCK2MAPK8MEN1NPC1KMT2A | |
| SCHEMBL19902413 | 0.83 | SMYD3 (0.61) | RIPK1ROCK2MAPK8HRH4SMYD3 | |
| SCHEMBL19902488 | 0.83 | SMYD3 (0.46) | RIPK1ROCK2MAPK8HRH4SMYD3 | |
| SCHEMBL19902711 | 0.83 | PYGL (0.48) | NUDT1ROCK2ROCK1MAPK8SMYD3 | |
| SCHEMBL19902625 | 0.81 | MLLT1 (0.49) | ROCK2ROCK1MAPK8MEN1NPC1 | |
| SCHEMBL19902581 | 0.81 | SMYD3 (0.46) | ROCK2HRH4SMYD3HDAC1PLA2G7 | |
| SCHEMBL19902463 | 0.81 | SLC2A1 (0.46) | ROCK2MAPK8HRH4SMYD3PLA2G7 | |
| SCHEMBL19902356 | 0.79 | CHRNA7 (0.45) | ROCK2ROCK1MAPK8NPC1SMYD3 |
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 | RIPK1 685/4885CNR2 2319/4885NUDT1 3938/4885 |
“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.