Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 SCHEMBL2845761 | 0.99 | KDM4E (0.40) | KDM4EALDH1A1HSP90AA1HSP90AB1SLC6A5 | |
| SCHEMBL2843973 | 0.88 | SLC6A4 (0.38) | KDM4EALDH1A1SLC6A5HRH4SLC6A4 | |
| SCHEMBL2838984 | 0.82 | KDM4E (0.37) | KDM4EALDH1A1HSP90AA1HSP90AB1SLC6A5 | |
| Hydrochloric Acid SCHEMBL2836930 | 0.82 | TP53 (0.34) | ALDH1A1SLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL2835085 | 0.82 | RYR2 (0.34) | ALDH1A1SLC6A4SLC6A2SLC6A3GAA | |
| Hydrochloric Acid SCHEMBL2845465 | 0.82 | SLC6A2 (0.40) | KDM4EALDH1A1HSP90AA1HSP90AB1CHRNA3 | |
| SCHEMBL2839785 | 0.81 | KDM4E (0.38) | KDM4EALDH1A1HRH4SLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL2844346 | 0.80 | MEN1 (0.32) | LMNADRD2 | |
| SCHEMBL2837080 | 0.78 | POLB (0.38) | ALDH1A1SLC6A4SLC6A2SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL2841036 | 0.78 | TP53 (0.31) | ALDH1A1CHRNA3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100048537-A1 | HETEROARYL DERIVATIVES | NIPPON SHINYAKU CO., LTD. (JP) | 2010-02-25 | — | — | US | claimed |
| EP-2141168-A1 | HETEROARYL DERIVATIVES | Nippon Shinyaku Co., Ltd. (JP) | 2010-01-06 | — | — | EP | claimed |
| 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 | KDM4E 3292/4885ALDH1A1 66/4885HSP90AA1 526/4885 |
“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.