Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.64 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.64 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.50 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.48 |
| ▸ | TUBB | P07437 | 1/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.48 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.48 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.48 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.48 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.48 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.48 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.48 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18329574 | 0.87 | PTGS1 (0.64) | PTGS1PTGS2ALOX5NFE2L2ACE | |
| SCHEMBL5960441 | 0.83 | PTGS1 (0.64) | PTGS1PTGS2ALOX5TUBB1TUBB4A | |
| SCHEMBL5960445 | 0.83 | PTGS1 (0.64) | PTGS1PTGS2ALOX5TUBB1TUBB4A | |
| SCHEMBL12913068 | 0.80 | PTGS1 (0.71) | PTGS1PTGS2ALOX5NFE2L2TUBB1 | |
| SCHEMBL4202763 | 0.80 | PTGS1 (0.71) | PTGS1PTGS2ALOX5NFE2L2TUBB1 | |
| SCHEMBL4202762 | 0.80 | PTGS1 (0.71) | PTGS1PTGS2ALOX5NFE2L2TUBB1 | |
| SCHEMBL24222559 | 0.79 | TUBB1 (0.57) | PTGS1PTGS2ALOX5TUBB1LCK | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1793692 | 0.78 | NFE2L2 (0.74) | PTGS1PTGS2ALOX5NFE2L2TUBB1 | |
| SCHEMBL318786 | 0.78 | NFE2L2 (0.74) | PTGS1PTGS2ALOX5NFE2L2TUBB1 | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL1305582 | 0.78 | NFE2L2 (0.74) | PTGS1PTGS2ALOX5NFE2L2TUBB1 |
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-20160367693-A1 | Selective Arylation of Dichalcogenides in Biomolecules | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-12-22 | — | — | 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-20160367693-A1 | Selective Arylation of Dichalcogenides in Biomolecules | SCLY, SELENOI, TPO | PTGS1 4762/4885PTGS2 4677/4885ALOX5 4084/4885 |
“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.