Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 8/20 | 0.38 |
| ▸ | LPL | P06858 | 7/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 3/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL12261115 | 0.88 | LIPG (0.48) | CA1CA2CA9AAK1LIPG | |
| SCHEMBL19000518 | 0.88 | CA1 (0.42) | CA1CA2CA9AAK1LIPG | |
| SCHEMBL17129277 | 0.86 | CA1 (0.41) | CA1CA2CA9AAK1LIPG | |
| SCHEMBL17129595 | 0.81 | CA1 (0.47) | CA1CA2CA9AAK1LIPG | |
| SCHEMBL257880 | 0.79 | LIPG (0.49) | CA1CA2CA9AAK1LIPG | |
| SCHEMBL87138 | 0.78 | LIPG (0.55) | CA1CA2CA9LIPGLPL | |
| SCHEMBL19000520 | 0.76 | LPL (0.47) | CA1CA2CA9AAK1LIPG | |
| SCHEMBL257829 | 0.76 | LIPG (0.46) | CA1CA2CA9AAK1LIPG | |
| SCHEMBL19000554 | 0.76 | AAK1 (0.39) | CA1CA2CA9AAK1ESR2 | |
| SCHEMBL31188697 | 0.75 | CYP1A2 (0.51) | CA1CA2CA9AAK1LIPG |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170174690-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-06-22 | — | — | 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-20170174690-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | ROS1, NOX1, NOX5 | CA1 3207/4885CA2 2712/4885CA9 4276/4885 |
“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.