Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1518158 | 0.90 | HRH3 (0.39) | PDPK1 | |
| SCHEMBL474833 | 0.90 | KCNH2 (0.46) | BACE1NOS2PDPK1KCNH2 | |
| SCHEMBL1518260 | 0.89 | HRH3 (0.38) | PDPK1 | |
| SCHEMBL18794910 | 0.88 | KCNH2 (0.48) | BACE1NOS2PDPK1KCNH2 | |
| SCHEMBL8521631 | 0.88 | KCNH2 (0.48) | BACE1NOS2PDPK1KCNH2 | |
| Hydrochloric Acid SCHEMBL1518237 | 0.87 | HRH3 (0.37) | PDPK1 | |
| SCHEMBL12595083 | 0.85 | MIF (0.35) | PDPK1 | |
| SCHEMBL12598559 | 0.84 | MPO (0.38) | BACE1 | |
| SCHEMBL365305 | 0.84 | — | — | |
| Trifluoroacetic Acid SCHEMBL16566441 | 0.84 | HRH4 (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9962383-B2 | Compounds, compositions and methods of agelastatin alkaloids | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170143708-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF AGELASTATIN ALKALOIDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-05-25 | — | — | US | disclosed |
| US-9434736-B2 | Compounds, compositions and methods of agelastatin alkaloids | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-09-06 | — | — | US | disclosed |
| US-20150080405-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF AGELASTATIN ALKALOIDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2015-03-19 | — | — | 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 (2 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-20170143708-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF AGELASTATIN ALKALOIDS | DIMT1, CIAPIN1, INMT | BACE1 1560/4885NOS2 1128/4885NOS3 804/4885 |
| US-20150080405-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF AGELASTATIN ALKALOIDS | DIMT1, CIAPIN1, INMT | BACE1 1560/4885NOS2 1128/4885NOS3 804/4885 |
“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.