Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | GLA | P06280 | 2/20 | 0.62 |
| ▸ | AR | P10275 | 2/20 | 0.62 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.62 |
| ▸ | AADAC | P22760 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | HTR6 | P50406 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL9891902 | 0.89 | AR (0.64) | ALDH1A1CYP1A2CYP2C9CYP2C19GLA | |
| SCHEMBL11879435 | 0.89 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19GLA | |
| SCHEMBL11511954 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C9CYP2C19GLA | |
| SCHEMBL11511392 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C9CYP2C19GLA | |
| SCHEMBL1192735 | 0.83 | MAP2K1 (0.54) | ARMAPK1SMN1; SMN2EPHX2KIF11 | |
| SCHEMBL2608928 | 0.83 | KDM4E (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19GLA | |
| SCHEMBL15061100 | 0.83 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C9CYP2C19GLA | |
| SCHEMBL1780905 | 0.81 | EPHX2 (0.49) | ARLMNAEPHX2KMT2AMEN1 | |
| SCHEMBL10819632 | 0.81 | PDK1 (0.76) | ALDH1A1CYP1A2CYP2C9CYP2C19GLA | |
| SCHEMBL11511304 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C9CYP2C19GLA |
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-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| US-20120142677-A1 | Pyrrolidine Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-07 | — | — | US | disclosed |
| US-20120142677-A1 | Pyrrolidine Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-07 | — | — | US | disclosed |
| WO-2010096371-A2 | HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-26 | — | — | 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-20120142677-A1 | Pyrrolidine Compounds Which Modulate The CB2 Receptor | CNR2, CNR1, OPRL1 | ALDH1A1 3279/4885CYP1A2 1529/4885CYP2C9 1894/4885 |
“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.