Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CCR3 | P51677 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| SCHEMBL9963590 | 0.89 | PTGS2 (0.41) | PTGS2DRD2ALDH1A1HPGDFABP4 | |
| SCHEMBL9963562 | 0.87 | PTGS2 (0.38) | PTGS2HPGDNPY5RLMNAFABP4 | |
| SCHEMBL9963647 | 0.85 | PTGS2 (0.38) | PTGS2DRD2ALDH1A1HPGDFABP4 | |
| SCHEMBL9963577 | 0.83 | PTGS2 (0.44) | PTGS2ALDH1A1GAAHPGDLMNA | |
| SCHEMBL9963571 | 0.83 | ACHE (0.39) | PTGS2ALDH1A1KMT2AHPGDLMNA | |
| SCHEMBL9963551 | 0.81 | PTGS2 (0.39) | PTGS2SMN1; SMN2HPGDLMNAHTT | |
| SCHEMBL9963648 | 0.81 | PTGS2 (0.40) | PTGS2ALDH1A1GAAHPGDNPY5R | |
| SCHEMBL9963664 | 0.80 | GSK3B (0.34) | PTGS2KMT2AHPGDNPY5RKCNH2 | |
| SCHEMBL9963597 | 0.80 | PTGS2 (0.38) | PTGS2KMT2ANPY5RLMNAFABP4 | |
| SCHEMBL9963569 | 0.79 | ACHE (0.37) | PTGS2ALDH1A1KMT2AHPGDLMNA |
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-8203001-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-19 | — | — | US | disclosed |
| US-8203001-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-19 | — | — | US | disclosed |
| US-20090258857-A1 | CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-15 | — | — | US | disclosed |
| US-20090258857-A1 | CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-15 | — | — | 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-20090258857-A1 | CHEMICAL COMPOUNDS | CCNA1, CCNT1, MKI67 | PTGS2 2872/4885DRD2 1966/4885ALDH1A1 51/4885 |
“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.