Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452830 | 0.87 | ROCK2 (0.62) | RAB9ANPC1HTR3EHTR3BHTR3A | |
| SCHEMBL19902689 | 0.79 | ROCK2 (0.46) | RAB9ANPC1ROCK2ROCK1KMT2A | |
| SCHEMBL19902458 | 0.79 | SCN4A (0.48) | NPC1HTR3AROCK2KMT2AMEN1 | |
| SCHEMBL19902713 | 0.78 | TNKS (0.50) | RAB9AHTR3AROCK2KMT2AALDH1A1 | |
| SCHEMBL19902698 | 0.78 | ROCK2 (0.49) | RAB9ANPC1ROCK2ROCK1KMT2A | |
| SCHEMBL19710504 | 0.77 | RAB9A (0.59) | RAB9ANPC1HTR3EHTR3BHTR3A | |
| SCHEMBL21489827 | 0.77 | RAB9A (0.59) | RAB9ANPC1HTR3EHTR3BHTR3A | |
| SCHEMBL19902690 | 0.77 | SMN1; SMN2 (0.44) | RAB9ANPC1ROCK2L3MBTL1ROCK1 | |
| SCHEMBL26414747 | 0.76 | RAB9A (0.76) | RAB9ANPC1HTR3EHTR3BHTR3A | |
| SCHEMBL19902696 | 0.76 | NPC1 (0.50) | RAB9ANPC1ROCK2L3MBTL1ROCK1 |
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 | RAB9A 564/4885NPC1 2709/4885HTR3E 3133/4885 |
“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.