Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.58 |
| ▸ | CTSK | P43235 | 5/20 | 0.58 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.57 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.57 |
| ▸ | ACE | P12821 | 2/20 | 0.57 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.56 |
| ▸ | PPARG | P37231 | 6/20 | 0.53 |
| ▸ | PPARA | Q07869 | 6/20 | 0.53 |
| ▸ | PPARD | Q03181 | 2/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | MME | P08473 | 1/20 | 0.52 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.52 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.50 |
| ▸ | ITGAV | P06756 | 1/20 | 0.50 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.50 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | BCL2 | P10415 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3728970 | 1.00 | CTSS (0.58) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL2335337 | 0.96 | ACE (0.60) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL9956011 | 0.96 | ACE (0.60) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL2335345 | 0.96 | ACE (0.60) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL7390262 | 0.90 | ACE (0.61) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL5374891 | 0.90 | ACE (0.61) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL1325182 | 0.89 | CTSS (0.72) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL1326276 | 0.89 | CTSS (0.72) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL1325181 | 0.89 | CTSS (0.72) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL16991005 | 0.88 | PTPN1 (0.63) | ACEITGB3ITGA2BPPARGPPARA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8338565-B2 | Macrocyclic compounds for inhibition of tumor necrosis factor alpha | ENSEMBLE THERAPEUTICS CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |
| US-20100152099-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA | ENSEMBLE THERAPEUTICS CORPORATION | 2010-06-17 | — | — | 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-20100152099-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA | TNF, CD40, TNFRSF1A | CTSS 492/4885CTSK 414/4885ITGA4 4283/4885 |
“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.