Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GCK | P35557 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.31 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.31 |
| ▸ | ALB | P02768 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | NR1I3 | Q14994 | 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 | |
|---|---|---|---|---|
| SCHEMBL18858528 | 0.86 | GABRA1 (0.38) | GABRA1GABRB2KDM4EALDH1A1PTGS1 | |
| SCHEMBL13003916 | 0.83 | — | — | |
| SCHEMBL24331534 | 0.80 | GABRA1 (0.38) | GABRA1GABRB2KDM4EALDH1A1PTGS1 | |
| SCHEMBL830410 | 0.78 | KDM4E (0.38) | KDM4ESMN1; SMN2 | |
| SCHEMBL21350478 | 0.77 | GABRA1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL2625522 | 0.76 | GABRA1 (0.38) | GABRA1GABRB2KDM4EPTGS1PTGS2 | |
| SCHEMBL18856278 | 0.74 | GABRA1 (0.36) | GABRA1GABRB2PTGS1PTGS2LMNA | |
| SCHEMBL13599964 | 0.74 | P2RX3 (0.41) | GABRA1GABRB2LMNA | |
| SCHEMBL15858739 | 0.74 | GABRA1 (0.36) | GABRA1GABRB2PTGS1PTGS2LMNA | |
| SCHEMBL21690806 | 0.74 | NPC1 (0.36) | KDM4ESMN1; SMN2 |
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-8293729-B2 | Compounds, pharmaceutical composition and methods relating thereto | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-8293729-B2 | Compounds, pharmaceutical composition and methods relating thereto | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-07 | — | — | US | disclosed |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-07 | — | — | 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-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | MC2R, REN, CYP11B2 | GABRA1 1921/4885GABRB2 2941/4885KDM4E 3718/4885 |
“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.