Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21250137 | 0.86 | ESR1 (0.32) | ESR1ESR2 | |
| SCHEMBL22880763 | 0.72 | ESR1 (0.30) | ESR1ESR2 | |
| SCHEMBL23776206 | 0.72 | OPRD1 (0.37) | ESR1ESR2 | |
| SCHEMBL17827996 | 0.71 | CCR1 (0.41) | ESR1ESR2PDE10ACCR1CCR5 | |
| SCHEMBL25599636 | 0.71 | ESR1 (0.39) | ESR1ESR2CCR1CCR5CCR8 | |
| SCHEMBL12692496 | 0.69 | CCR1 (0.43) | ESR1ESR2PDE10ACCR1CCR5 | |
| SCHEMBL17827999 | 0.69 | CCR1 (0.43) | ESR1ESR2PDE10ACCR1CCR5 | |
| SCHEMBL15431066 | 0.69 | GCGR (0.33) | — | |
| SCHEMBL21536087 | 0.69 | AURKA (0.33) | ESR1ESR2 | |
| SCHEMBL26169740 | 0.69 | ESR1 (0.43) | ESR1ESR2PDE10ACCR1CCR5 |
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-20180057505-A1 | BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY | VERTEX PHARMACEUTICALS INCORPORATED | 2018-03-01 | — | — | 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-20180057505-A1 | BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY | F2RL1, PARP12, TFPI2 | ESR1 2198/4885ESR2 626/4885PDE10A 2435/4885 |
“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.