Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2840442 | 0.83 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL2840961 | 0.80 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3KMT2A | |
| Hydrochloric Acid SCHEMBL2840796 | 0.73 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL2844211 | 0.73 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL374672 | 0.71 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL25335598 | 0.70 | SLC6A2 (0.59) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL25336072 | 0.69 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL2841676 | 0.69 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL25336074 | 0.69 | SLC6A2 (0.56) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL7057566 | 0.68 | CHRNB4 (0.57) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 |
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 | SLC6A2 196/4885SLC6A4 185/4885SLC6A3 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.