Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.67 |
| ▸ | CTSS | P25774 | 6/20 | 0.63 |
| ▸ | CTSK | P43235 | 5/20 | 0.63 |
| ▸ | CTSB | P07858 | 2/20 | 0.63 |
| ▸ | CTSL | P07711 | 1/20 | 0.63 |
| ▸ | PPARA | Q07869 | 2/20 | 0.56 |
| ▸ | PPARG | P37231 | 1/20 | 0.56 |
| ▸ | AKT1 | P31749 | 1/20 | 0.55 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.55 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL67020 | 0.91 | ACE (0.79) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL606309 | 0.91 | ACE (0.79) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL795685 | 0.91 | ACE (0.79) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL21473784 | 0.91 | ACE (0.79) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL27909397 | 0.91 | ACE (0.79) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL66220 | 0.91 | ACE (0.79) | ACECTSSCTSKCTSBCTSL | |
| Sarcosine SCHEMBL29259014 | 0.90 | ACE (0.67) | ACECTSSCTSKCTSBCTSL | |
| Water SCHEMBL15362012 | 0.90 | ACE (0.77) | ACECTSSCTSKCTSBCTSL | |
| Water SCHEMBL15362013 | 0.90 | ACE (0.77) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL29707278 | 0.90 | ACE (0.77) | ACECTSSCTSKCTSBCTSL |
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-7973044-B2 | Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-20100160341-A1 | HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. | 2010-06-24 | — | — | 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-20100160341-A1 | HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | VCAM1, ICAM1, ITGB4 | ACE 2306/4885CTSS 3198/4885CTSK 3838/4885 |
“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.