Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 3/20 | 0.47 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | CA6 | P23280 | 3/20 | 0.47 |
| ▸ | CA5A | P35218 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10083746 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL10146084 | 0.80 | GAA (0.52) | ALDH1A1CYP3A4CA1CA2CA12 | |
| SCHEMBL14227525 | 0.80 | ENPP2 (0.48) | ALDH1A1PTGS2 | |
| SCHEMBL8905785 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL10146079 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL14227523 | 0.78 | TSHR (0.35) | ALDH1A1TSHR | |
| SCHEMBL13950431 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL14227524 | 0.78 | KMT2A (0.44) | MAPK1MEN1KMT2APTGS2 | |
| SCHEMBL1828426 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MAPK1CA1CA2 | |
| SCHEMBL14227521 | 0.75 | PKM (0.57) | ALDH1A1CA1CA2CA12CA7 |
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-9315454-B2 | Compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-04-19 | — | — | US | disclosed |
| US-8846936-B2 | Sulfonyl compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-30 | — | — | US | disclosed |
| US-20130184315-A1 | SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-18 | — | — | US | disclosed |
| US-20120316173-A1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-13 | — | — | US | disclosed |
| US-20120015988-A1 | Sulfone Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-19 | — | — | US | disclosed |
| US-20120015988-A1 | Sulfone Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-19 | — | — | 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-20120316173-A1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | CNR2, CNR1, OPRL1 | ALDH1A1 2203/4885CYP3A4 1178/4885MAPK1 1076/4885 |
| US-20130184315-A1 | SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | CNR2, CNR1, GPR52 | ALDH1A1 2934/4885CYP3A4 1422/4885MAPK1 1174/4885 |
| US-20120015988-A1 | Sulfone Compounds Which Modulate The CB2 Receptor | CNR2, CNR1, TRPV1 | ALDH1A1 2844/4885CYP3A4 1414/4885MAPK1 1511/4885 |
“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.