Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
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 SCHEMBL2837917 | 0.99 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3HRH3KDM4E | |
| SCHEMBL2838001 | 0.88 | KDM4E (0.38) | SLC6A4SLC6A2SLC6A3KDM4EALDH1A1 | |
| SCHEMBL2836717 | 0.84 | SLC6A2 (0.35) | SLC6A4SLC6A2SLC6A3KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL2838701 | 0.79 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3HRH3KDM4E | |
| Citric Acid SCHEMBL2835076 | 0.78 | KDM4E (0.38) | KDM4EALDH1A1MEN1KMT2AKCNH2 | |
| SCHEMBL2843973 | 0.75 | SLC6A4 (0.38) | SLC6A4SLC6A2SLC6A3HRH3KDM4E | |
| SCHEMBL2842479 | 0.74 | SLC6A2 (0.49) | SLC6A4SLC6A2SLC6A3CYP2D6CYP2C19 | |
| SCHEMBL2837054 | 0.74 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3HRH3KDM4E | |
| SCHEMBL2842029 | 0.73 | OPRK1 (0.39) | SLC6A4SLC6A2SLC6A3KDM4EALDH1A1 | |
| SCHEMBL2835554 | 0.73 | ALDH1A1 (0.33) | SLC6A4SLC6A2SLC6A3KDM4EALDH1A1 |
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 | SLC6A4 185/4885SLC6A2 196/4885SLC6A3 118/4885 |
“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.