Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.59 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.53 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.46 |
| ▸ | ITGAV | P06756 | 4/20 | 0.46 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.45 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.45 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | YAP1 | P46937 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8232058 | 1.00 | NLRP3 (0.59) | NLRP3ITGB1ITGA4L3MBTL1ATM | |
| SCHEMBL13762119 | 0.88 | L3MBTL1 (0.58) | NLRP3ITGB1ITGA4L3MBTL1ATM | |
| SCHEMBL4522154 | 0.84 | HDAC1 (0.58) | ITGB1ITGA4L3MBTL1ATMITGB3 | |
| SCHEMBL13927753 | 0.84 | L3MBTL1 (0.61) | NLRP3ITGB1ITGA4L3MBTL1ATM | |
| SCHEMBL11925979 | 0.83 | GAA (0.60) | NLRP3L3MBTL1LNPEPCTSGCMA1 | |
| SCHEMBL4524464 | 0.82 | ITGB1 (0.52) | NLRP3ITGB1ITGA4L3MBTL1ATM | |
| SCHEMBL8230999 | 0.82 | ITGB1 (0.52) | NLRP3ITGB1ITGA4L3MBTL1ATM | |
| SCHEMBL18067868 | 0.81 | ITGB1 (0.55) | NLRP3ITGB1ITGA4ITGB3ITGAV | |
| SCHEMBL22338787 | 0.80 | NLRP3 (0.59) | NLRP3CTSGCMA1YAP1 | |
| SCHEMBL22302993 | 0.80 | NLRP3 (0.59) | NLRP3CTSGCMA1YAP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8309735-B2 | Heterocyclic compounds for the inhibition of integrins and use thereof | SHIRE ORPHAN THERAPIES GMBH (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-08-13 | — | — | US | disclosed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | 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-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | ITGB1, ITGA2, ITGB2 | NLRP3 3959/4885ITGB1 1/4885ITGA4 13/4885 |
“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.