Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.33 |
| ▸ | CTSD | P07339 | 11/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | PPIA | P62937 | 2/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL977080 | 0.99 | BACE1 (0.35) | BACE1CTSDAAK1DPP8DPP9 | |
| SCHEMBL981358 | 0.79 | OPRL1 (0.35) | BACE1CTSDOPRL1 | |
| SCHEMBL977079 | 0.78 | BACE1 (0.36) | BACE1CTSDOPRL1 | |
| SCHEMBL3695612 | 0.73 | CTSS (0.34) | AAK1 | |
| SCHEMBL1014016 | 0.73 | CTSD (0.35) | BACE1CTSDAAK1DPP8DPP9 | |
| SCHEMBL1273340 | 0.69 | PPIA (0.34) | DPP8DPP9PPIA | |
| SCHEMBL1225572 | 0.69 | DGAT2 (0.35) | OPRL1 | |
| SCHEMBL17040319 | 0.68 | APLNR (0.38) | AAK1 | |
| SCHEMBL12788407 | 0.68 | MAPT (0.41) | — | |
| SCHEMBL977548 | 0.67 | AAK1 (0.31) | AAK1 |
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-8765759-B2 | Monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| US-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| US-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| WO-2011014383-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-02-03 | — | — | WO | disclosed |
| US-20110021516-A1 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP (US) | 2011-01-27 | — | — | 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-20110021516-A1 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | CCKAR, CALCRL, CCKBR | BACE1 1154/4885CTSD 1652/4885AAK1 2740/4885 |
| US-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | CALCRL, CALCR, GRPR | BACE1 1229/4885CTSD 892/4885AAK1 3577/4885 |
“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.