Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452828 | 0.88 | ROCK2 (0.56) | ROCK2NPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL19902350 | 0.80 | ALDH1A1 (0.57) | ROCK2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19902334 | 0.80 | ALDH1A1 (0.57) | ROCK2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19902530 | 0.79 | HTR4 (0.61) | CYP3A4HTR4CYP2D6 | |
| SCHEMBL19902644 | 0.79 | ROCK1 (0.56) | ROCK2NPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL19902345 | 0.77 | ROCK1 (0.53) | ROCK2NPC1RAB9AROCK1KDM4E | |
| SCHEMBL19902713 | 0.77 | TNKS (0.50) | ROCK2RAB9AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL19902639 | 0.76 | KDM4E (0.51) | ROCK2NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL19902720 | 0.76 | ALDH1A1 (0.43) | ROCK2NPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL19902689 | 0.76 | ROCK2 (0.46) | ROCK2NPC1RAB9AALDH1A1CYP1A2 |
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 3/4885NPC1 2709/4885RAB9A 564/4885 |
“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.