Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2841551 | 0.89 | CHRNA3 (0.39) | MCHR1CHRNA3NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL2840918 | 0.87 | SLC6A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2840414 | 0.85 | ALDH1A1 (0.39) | ROCK2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2837910 | 0.84 | ROCK2 (0.37) | ROCK2ALDH1A1GAAL3MBTL1 | |
| SCHEMBL2836555 | 0.83 | KDM4E (0.38) | CHRNA3ALDH1A1 | |
| SCHEMBL2844196 | 0.83 | DDB1 (0.38) | CHRNA3ALDH1A1L3MBTL1 | |
| SCHEMBL2838705 | 0.82 | MAOA (0.34) | ROCK2MCHR1MAOAMAOBCHRNA3 | |
| Hydrochloric Acid SCHEMBL2838760 | 0.82 | SLC6A2 (0.34) | HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL2835850 | 0.81 | MAOA (0.34) | ROCK2MCHR1MAOAMAOBCHRNA3 | |
| SCHEMBL2836692 | 0.81 | ROCK2 (0.34) | ROCK2MCHR1MAOAMAOBCHRNA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8217031-B2 | Heteroaryl derivatives | NIPPON SHINYAKU CO., LTD. (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20100048537-A1 | HETEROARYL DERIVATIVES | NIPPON SHINYAKU CO., LTD. (JP) | 2010-02-25 | — | — | US | disclosed |
| EP-2141168-A1 | HETEROARYL DERIVATIVES | Nippon Shinyaku Co., Ltd. (JP) | 2010-01-06 | — | — | EP | 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-20100048537-A1 | HETEROARYL DERIVATIVES | OPRD1, OPRM1, OPRK1 | ROCK2 2445/4885MCHR1 401/4885MAOA 16/4885 |
“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.