Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 2/20 | 0.30 |
| ▸ | MMP3 | P08254 | 2/20 | 0.30 |
| ▸ | MMP9 | P14780 | 2/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10107206 | 0.85 | CTSK (0.37) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL13684411 | 0.83 | CA1 (0.39) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL10134776 | 0.80 | CTSK (0.40) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL14037618 | 0.79 | DGAT1 (0.37) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL30170109 | 0.76 | CA14 (0.36) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL14380195 | 0.75 | MMP3 (0.33) | ADAM17MMP1MMP3MMP9MMP2 | |
| SCHEMBL2434771 | 0.73 | TSHR (0.39) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL14011617 | 0.72 | CA1 (0.38) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL21916822 | 0.72 | CA1 (0.38) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL17586869 | 0.71 | CA1 (0.49) | CA1CA2CA7CTSKCYP2D6 |
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-9469629-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2016-10-18 | — | — | US | disclosed |
| US-20140296196-A1 | NK1 ANTAGONISTS | OPKO HEALTH, INC. | 2014-10-02 | — | — | US | disclosed |
| US-8754216-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2014-06-17 | — | — | US | disclosed |
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| US-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | 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-20140296196-A1 | NK1 ANTAGONISTS | NPSR1, GRPR, PROKR1 | CA1 1995/4885CA2 1968/4885CA7 3121/4885 |
“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.