Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL28327202 | 0.86 | NCEH1 (0.43) | ROCK1CYP1A2CYP3A4MAPK1LMNA | |
| SCHEMBL26928486 | 0.82 | RECQL (0.52) | ROCK1CYP1A2CYP3A4MAPK1LMNA | |
| SCHEMBL4385700 | 0.82 | ROCK1 (0.45) | ROCK1CYP1A2CYP3A4MAPK1LMNA | |
| SCHEMBL24146531 | 0.81 | ROCK1 (0.41) | ROCK1CYP3A4MAPK1LMNAMAPT | |
| SCHEMBL24791368 | 0.81 | ROCK1 (0.41) | ROCK1CYP1A2CYP3A4MAPK1LMNA | |
| SCHEMBL805500 | 0.80 | CYP2A6 (0.50) | ROCK1NOS3NOS1NOS2CYP1A2 | |
| SCHEMBL27573350 | 0.79 | ROCK1 (0.42) | ROCK1CYP1A2CYP3A4MAPK1LMNA | |
| SCHEMBL1696126 | 0.79 | ROCK1 (0.72) | ROCK1NOS3NOS1NOS2KCNH2 | |
| SCHEMBL9883144 | 0.79 | ROCK1 (0.45) | ROCK1NOS3NOS1NOS2CYP1A2 | |
| SCHEMBL8352162 | 0.79 | NOS3 (0.47) | ROCK1NOS3NOS1NOS2CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8394826-B2 | Dual mechanism inhibitors for the treatment of disease | AERIE PHARMACEUTICALS, INC. (US) | 2013-03-12 | — | — | US | disclosed |
| US-20120135984-A1 | DUAL-ACTION INHBITORS AND METHODS OF USING SAME | AERIE PHARMACEUTICALS, INC. | 2012-05-31 | — | — | US | disclosed |
| US-20100280011-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | ALCON INC. (CH) | 2010-11-04 | — | — | US | disclosed |
| WO-2010117977-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-10-14 | — | — | WO | 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 (2 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-20120135984-A1 | DUAL-ACTION INHBITORS AND METHODS OF USING SAME | SLC6A2, ROCK2, SLC6A4 | ROCK1 6/4885NOS3 323/4885NOS1 235/4885 |
| US-20100280011-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | RHOA, SLC6A2, ROCK2 | ROCK1 10/4885NOS3 123/4885NOS1 97/4885 |
“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.