Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11919171 | 0.79 | PTGS1 (0.46) | ELANEGPR3PTGS2IDO1ALDH1A1 | |
| SCHEMBL7002086 | 0.79 | LOXL2 (0.42) | ELANEGPR3IDO1ALDH1A1HPGD | |
| SCHEMBL8772908 | 0.76 | ALDH1A1 (0.37) | GPR3PTGS2IDO1ALDH1A1HPGD | |
| SCHEMBL8772757 | 0.75 | ALDH1A1 (0.37) | ELANEGPR3IDO1ALDH1A1HPGD | |
| SCHEMBL1027461 | 0.73 | SMN1; SMN2 (0.43) | PTGS2ALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL3229873 | 0.73 | LMNA (0.40) | GPR3PTGS2ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL2493164 | 0.73 | PARP1 (0.43) | ELANEALDH1A1HPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL7155004 | 0.72 | ALDH1A1 (0.40) | ELANEALDH1A1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL5298071 | 0.72 | MAOB (0.39) | GPR3ALDH1A1HPGDSMN1; SMN2MAOA | |
| Hydrochloric Acid SCHEMBL5697360 | 0.72 | SMN1; SMN2 (0.42) | PTGS2ALDH1A1HPGDSMN1; SMN2KDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1492803-B1 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | GRUENENTHAL GMBH (DE) | 2008-06-11 | — | — | EP | disclosed |
| US-7358235-B2 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2008-04-15 | — | — | US | disclosed |
| US-20050096293-A1 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2005-05-05 | — | — | US | disclosed |
| EP-1373229-A4 | PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID | TEVA PHARMA (IL) | 2005-05-04 | — | — | EP | disclosed |
| EP-1492803-A1 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | Grünenthal GmbH (DE) | 2005-01-05 | — | — | EP | disclosed |
| EP-1373229-A1 | PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2004-01-02 | — | — | EP | disclosed |
| WO-2003084975-A1 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | Grünenthal GmbH (DE) | 2003-10-16 | — | — | WO | disclosed |
| EP-1352910-A1 | New analogs of nitrobenzylthioinosine | Grünenthal GmbH (DE) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002070495-A1 | PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2002-09-12 | — | — | 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-20050096293-A1 | Analogs of nitrobenzylthioinosine | NUDT1, TYMP, NNMT | ELANE 1178/4885GPR3 3338/4885PTGS2 676/4885 |
“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.