Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 2/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 5/20 | 0.34 |
| ▸ | MAOA | P21397 | 4/20 | 0.34 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL435202 | 1.00 | SMPD1 (0.40) | SMPD1PRKDCSPHK2NOS3NOS1 | |
| SCHEMBL10083367 | 0.94 | MET (0.38) | SMPD1NOS3NOS1NOS2MAOB | |
| SCHEMBL15380757 | 0.94 | MET (0.38) | SMPD1NOS3NOS1NOS2MAOB | |
| SCHEMBL433873 | 0.92 | MAOA (0.37) | HRH3MAOBMAOAALDH1A1TSHR | |
| SCHEMBL433872 | 0.92 | MAOA (0.37) | HRH3MAOBMAOAALDH1A1TSHR | |
| SCHEMBL15380780 | 0.89 | NOS3 (0.41) | NOS3NOS1NOS2ROCK2ROCK1 | |
| SCHEMBL433094 | 0.89 | NOS3 (0.41) | NOS3NOS1NOS2ROCK2ROCK1 | |
| SCHEMBL434660 | 0.85 | ROCK2 (0.45) | ROCK2ROCK1 | |
| SCHEMBL434659 | 0.85 | ROCK2 (0.45) | ROCK2ROCK1 | |
| SCHEMBL433022 | 0.84 | TRPV1 (0.37) | ROCK2ROCK1CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9303027-B2 | Kappa opioid receptor agonists | DR. REDDY'S LABORATORIES LTD. (IN) | 2016-04-05 | — | — | US | claimed |
| US-20130303525-A1 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES, INC. (US) | 2013-11-14 | — | — | US | claimed |
| WO-2012012410-A2 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-01-26 | — | — | WO | claimed |
| US-9303027-B2 | Kappa opioid receptor agonists | DR. REDDY'S LABORATORIES LTD. (IN) | 2016-04-05 | — | — | US | disclosed |
| US-9303027-B2 | Kappa opioid receptor agonists | DR. REDDY'S LABORATORIES LTD. (IN) | 2016-04-05 | — | — | US | disclosed |
| US-20130303525-A1 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES, INC. (US) | 2013-11-14 | — | — | US | disclosed |
| US-20130303525-A1 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES, INC. (US) | 2013-11-14 | — | — | US | disclosed |
| WO-2012012410-A2 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-01-26 | — | — | 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 (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-20130303525-A1 | KAPPA OPIOID RECEPTOR AGONISTS | OPRK1, OPRL1, OPRD1 | SMPD1 4795/4885PRKDC 3400/4885SPHK2 2434/4885 |
“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.