Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL707704 | 1.00 | CYP1A2 (0.54) | CYP1A2TSHRCYP2C19MAPTPKM | |
| SCHEMBL5024864 | 0.80 | HDAC4 (0.43) | CYP1A2TSHRCYP2C19MAPTPKM | |
| SCHEMBL2894414 | 0.80 | HDAC4 (0.43) | CYP1A2TSHRCYP2C19MAPTPKM | |
| SCHEMBL2895444 | 0.80 | HDAC4 (0.43) | CYP1A2TSHRCYP2C19MAPTPKM | |
| SCHEMBL705431 | 0.77 | CYP1A2 (0.43) | CYP1A2TSHRCYP2C19 | |
| SCHEMBL707123 | 0.77 | CYP1A2 (0.43) | CYP1A2TSHRCYP2C19 | |
| SCHEMBL6082005 | 0.76 | TSHR (0.49) | CYP1A2TSHRCYP2C19MAPTPKM | |
| SCHEMBL705280 | 0.76 | CYP1A2 (0.42) | CYP1A2TSHRCYP2C19MAPTPKM | |
| SCHEMBL706577 | 0.76 | CYP1A2 (0.42) | CYP1A2TSHRCYP2C19MAPTPKM | |
| SCHEMBL12694396 | 0.74 | HDAC4 (0.61) | CYP1A2TSHRCYP2C19HDAC4 |
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-8124633-B2 | Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2012-02-28 | — | — | US | disclosed |
| US-7345083-B2 | Hydroisoindoline tachykinin receptor antagonists | MERCK & CO., INC. (US) | 2008-03-18 | — | — | US | disclosed |
| US-20070161695-A1 | Hydroisoindoline tachykinin receptor antagonists | VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) | 2007-07-12 | — | — | 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-20070161695-A1 | Hydroisoindoline tachykinin receptor antagonists | TACR1, TACR2, NPSR1 | CYP1A2 2246/4885TSHR 1200/4885CYP2C19 1774/4885 |
“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.