Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TPH1 | P17752 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | FURIN | P09958 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2839057 | 0.91 | TPH1 (0.37) | ALDH1A1TPH1OPRK1OPRM1OPRD1 | |
| SCHEMBL2842973 | 0.87 | TPH1 (0.34) | ALDH1A1TPH1OPRK1OPRM1OPRD1 | |
| SCHEMBL2841128 | 0.80 | TOP2A (0.36) | TPH1OPRK1OPRM1KCNH2SLC6A2 | |
| SCHEMBL2835554 | 0.78 | ALDH1A1 (0.33) | ALDH1A1OPRK1OPRM1OPRD1KCNH2 | |
| SCHEMBL2835987 | 0.77 | TPH1 (0.38) | TPH1OPRK1OPRM1OPRD1KCNH2 | |
| SCHEMBL2873210 | 0.77 | UTS2R (0.37) | ALDH1A1OPRD1SLC6A3KDM4EHSD17B10 | |
| SCHEMBL2837054 | 0.74 | SLC6A4 (0.37) | ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL2839698 | 0.72 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL2836949 | 0.71 | TPH1 (0.37) | TPH1OPRK1OPRM1OPRD1KCNH2 | |
| SCHEMBL2838841 | 0.71 | SLC6A2 (0.37) | ALDH1A1SLC6A2SLC6A4SLC6A3LMNA |
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 | ALDH1A1 66/4885TPH1 17/4885OPRK1 3/4885 |
“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.