Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12581479 | 0.78 | CXCR1 (0.41) | PDE4AALDH1A1CHRM1CXCR1CXCR2 | |
| SCHEMBL7427247 | 0.77 | CYP3A4 (0.35) | PDE4ALMNATSHRCYP3A4CYP2C19 | |
| SCHEMBL17737228 | 0.76 | PTGS1 (0.39) | PDE4AALDH1A1CHRM1CXCR1CXCR2 | |
| SCHEMBL24435031 | 0.76 | PTGS1 (0.44) | PDE4ACHRM1CXCR1CXCR2PTGS1 | |
| SCHEMBL1131597 | 0.76 | PTGS1 (0.56) | PDE4AALDH1A1CHRM1CXCR1CXCR2 | |
| SCHEMBL13741192 | 0.74 | GPR84 (0.46) | — | |
| SCHEMBL14370053 | 0.74 | CA2 (0.41) | PDE4AALDH1A1LMNACYP3A4CYP2C19 | |
| SCHEMBL1434203 | 0.74 | — | — | |
| SCHEMBL5174938 | 0.73 | PTGS1 (0.54) | PDE4AALDH1A1CHRM1CXCR1CXCR2 | |
| SCHEMBL14370055 | 0.73 | CYP3A4 (0.36) | ALDH1A1LMNATSHRCYP3A4CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| EP-2029529-B1 | SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 | LILLY CO ELI (US) | 2010-07-07 | — | — | EP | disclosed |
| US-20090143370-A1 | Non-nucleoside Reverse Transcriptase Inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-04 | — | — | US | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |
| US-20080221092-A1 | Heterobicyclic metalloprotease inhibitors | BLUHM HARALD | 2008-09-11 | — | — | US | disclosed |
| US-20080221083-A1 | Heterobicyclic metalloprotease inhibitors | HOCHGURTEL MATTHIAS | 2008-09-11 | — | — | 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 (3 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-20080221083-A1 | Heterobicyclic metalloprotease inhibitors | MMP13, MMP3, TIMP3 | PDE4A 1595/4885ALDH1A1 1907/4885CHRM1 4735/4885 |
| US-20080221092-A1 | Heterobicyclic metalloprotease inhibitors | MMP13, MMP3, TIMP3 | PDE4A 1508/4885ALDH1A1 1875/4885CHRM1 4719/4885 |
| US-20090143370-A1 | Non-nucleoside Reverse Transcriptase Inhibitors | RTF1, POLR1A, POLR1E | PDE4A 1835/4885ALDH1A1 411/4885CHRM1 2594/4885 |
“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.