Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4188461 | 0.83 | ALDH1A1 (0.34) | ALDH1A1HPGDSMN1; SMN2CYP3A4BRD4 | |
| SCHEMBL12221612 | 0.80 | SMN1; SMN2 (0.52) | ALDH1A1HPGDSMN1; SMN2ERN1PDK2 | |
| SCHEMBL1006734 | 0.76 | TPMT (0.54) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL1966098 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2ERN1LMNA | |
| SCHEMBL745428 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2ERN1LMNA | |
| SCHEMBL13681549 | 0.74 | SMN1; SMN2 (0.43) | ALDH1A1HPGDSMN1; SMN2ERN1PDK2 | |
| SCHEMBL4928977 | 0.74 | ALDH1A1 (0.36) | ALDH1A1HPGDSMN1; SMN2ERN1LMNA | |
| SCHEMBL5052149 | 0.73 | TPMT (0.56) | ALDH1A1HPGDSMN1; SMN2LMNAMAPT | |
| SCHEMBL1637909 | 0.73 | CA5A (0.50) | HPGDSMN1; SMN2LMNAMAPTNPC1 | |
| SCHEMBL19539187 | 0.73 | TLR8 (0.44) | ALDH1A1HPGDSMN1; SMN2ERN1CYP3A4 |
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 15 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 | claimed |
| US-20090203745-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-08-13 | — | — | US | claimed |
| US-20090104116-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-04-23 | — | — | US | claimed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | claimed |
| EP-1979342-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jerini AG (DE) | 2008-10-15 | — | — | EP | claimed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | claimed |
| WO-2007088041-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-08-09 | — | — | WO | claimed |
| US-8927534-B2 | Compounds for the inhibition of integrins and use thereof | SHIRE ORPHAN THERAPIES GMBH (DE) | 2015-01-06 | — | — | US | disclosed |
| 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 |
| US-20090104116-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2009-04-23 | — | — | US | disclosed |
| EP-2024357-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jereni AG (DE) | 2009-02-18 | — | — | EP | disclosed |
| EP-1979342-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | Jerini AG (DE) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007131764-A2 | NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-11-22 | — | — | WO | disclosed |
| WO-2007088041-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | JERINI AG (DE) | 2007-08-09 | — | — | 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 (2 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 | ALDH1A1 465/4885HPGD 837/4885SMN1; SMN2 3320/4885 |
| US-20090104116-A1 | COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF | ITGA1, ITGB1, ITGA5 | ALDH1A1 233/4885HPGD 726/4885SMN1; SMN2 4197/4885 |
“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.