Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17802717 | 0.85 | GAA (0.38) | CA12CA1CA2CA9GABRA1 | |
| SCHEMBL5741892 | 0.83 | AKR1B1 (0.48) | KDM4EMMP1MMP2MMP9MMP12 | |
| SCHEMBL17605475 | 0.82 | IAPP (0.34) | GABRA1GABRB2MEP1BALDH1A1KDM4E | |
| SCHEMBL29993025 | 0.81 | L3MBTL1 (0.40) | CA12CA1CA2CA9GABRA1 | |
| SCHEMBL27094100 | 0.81 | L3MBTL1 (0.40) | CA12CA1CA2CA9GABRA1 | |
| SCHEMBL1142802 | 0.81 | CES2 (0.45) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL11028284 | 0.81 | GABRA1 (0.40) | CA12CA1CA2CA9GABRA1 | |
| SCHEMBL310967 | 0.80 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31291159 | 0.80 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31016094 | 0.77 | CA1 (0.42) | CA12CA1CA2CA9MEP1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7393858-B2 | Tetrahydropyran compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-07-01 | — | — | US | disclosed |
| US-20060172999-A1 | Tetrahydropyran compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2006-08-03 | — | — | US | 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-20060172999-A1 | Tetrahydropyran compounds as tachykinin antagonists | NPSR1, NPY1R, OPRL1 | CA12 4103/4885CA1 1929/4885CA2 1803/4885 |
“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.