Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26354777 | 0.81 | CYP2A6 (0.46) | CYP2A6ROCK1MAOADYRK1AWNT3A | |
| SCHEMBL9883144 | 0.80 | ROCK1 (0.45) | CYP2A6ROCK1NOS3NOS1NOS2 | |
| SCHEMBL9883261 | 0.80 | ROCK1 (0.45) | CYP2A6ROCK1NOS3NOS1NOS2 | |
| SCHEMBL1696126 | 0.80 | ROCK1 (0.72) | ROCK1NOS3NOS1NOS2KCNH2 | |
| SCHEMBL8352162 | 0.80 | NOS3 (0.47) | CYP2A6ROCK1NOS3NOS1NOS2 | |
| SCHEMBL20040543 | 0.78 | ROCK1 (0.47) | CYP2A6ROCK1CYP1A2DYRK1AKCNH2 | |
| SCHEMBL9883177 | 0.77 | ROCK1 (0.42) | CYP2A6ROCK1NOS3NOS1NOS2 | |
| SCHEMBL21448965 | 0.77 | MEN1 (0.40) | CYP2A6ROCK1NOS3NOS1NOS2 | |
| SCHEMBL2757278 | 0.76 | CYP2A6 (0.57) | CYP2A6ROCK1NOS3NOS1NOS2 | |
| SCHEMBL18752195 | 0.76 | ROCK1 (0.43) | CYP2A6ROCK1NOS3NOS1NOS2 |
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-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| US-20100280011-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | ALCON INC. (CH) | 2010-11-04 | — | — | 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 (3 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 | CYP2A6 2518/4885ROCK1 6/4885NOS3 323/4885 |
| US-20100280011-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | RHOA, SLC6A2, ROCK2 | CYP2A6 2488/4885ROCK1 10/4885NOS3 123/4885 |
| US-20120071461-A1 | Substituted Benzamide Compounds | BDKRB1, BDKRB2, HRH2 | CYP2A6 1768/4885ROCK1 2491/4885NOS3 1616/4885 |
“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.