Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | SPR | P35270 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17452853 | 0.87 | ROCK2 (0.64) | ROCK2ADORA2AADORA1RAB9AALDH1A1 | |
| SCHEMBL19902600 | 0.78 | RAB9A (0.48) | ROCK2RAB9AALDH1A1ROCK1NPC1 | |
| SCHEMBL19902713 | 0.78 | TNKS (0.50) | ROCK2RAB9AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL19902689 | 0.77 | ROCK2 (0.46) | ROCK2RAB9AALDH1A1ROCK1CYP1A2 | |
| SCHEMBL19902321 | 0.77 | ROCK2 (0.54) | ROCK2ALDH1A1ROCK1CYP1A2CYP3A4 | |
| SCHEMBL19902690 | 0.76 | SMN1; SMN2 (0.44) | ROCK2RAB9AALDH1A1ROCK1CYP1A2 | |
| SCHEMBL19902383 | 0.76 | CYP1A2 (0.48) | ROCK2RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19902631 | 0.76 | HDAC8 (0.42) | ROCK2RAB9AALDH1A1ROCK1NPC1 | |
| SCHEMBL19902487 | 0.75 | ROCK2 (0.42) | ROCK2RAB9AALDH1A1ROCK1CYP1A2 | |
| SCHEMBL19902413 | 0.75 | SMYD3 (0.61) | ROCK2 |
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 3/4885ADORA2A 2799/4885ADORA1 2150/4885 |
“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.