Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL602550 | 0.88 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AL3MBTL1CYP1A2 | |
| SCHEMBL10227980 | 0.81 | RIPK2 (0.42) | ALDH1A1MAPTRIPK2LMNACNR2 | |
| SCHEMBL10227970 | 0.81 | RIPK2 (0.39) | ALDH1A1MAPTRIPK2LMNACNR2 | |
| SCHEMBL17434594 | 0.80 | NR1H4 (0.43) | ALDH1A1MAPTRIPK2LMNACNR2 | |
| SCHEMBL1978722 | 0.78 | ALDH1A1 (0.38) | ALDH1A1MAPTRORCTHRBLMNA | |
| SCHEMBL602672 | 0.77 | AKR1C3 (0.47) | ALDH1A1MAPTRIPK2LMNACNR2 | |
| SCHEMBL10227971 | 0.77 | KMO (0.43) | ALDH1A1MAPTRIPK2LMNACNR2 | |
| SCHEMBL15383148 | 0.76 | CNR2 (0.48) | ALDH1A1MAPTRIPK2LMNACNR2 | |
| SCHEMBL10227951 | 0.76 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL897967 | 0.75 | CNR2 (0.46) | ALDH1A1MAPTRIPK2CNR2MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8846739-B2 | TGR5 agonists | EXELIXIS PATENT COMPANY LLC (US) | 2014-09-30 | — | — | US | disclosed |
| US-8846739-B2 | TGR5 agonists | EXELIXIS PATENT COMPANY LLC (US) | 2014-09-30 | — | — | US | disclosed |
| US-8846739-B2 | TGR5 agonists | EXELIXIS PATENT COMPANY LLC (US) | 2014-09-30 | — | — | US | disclosed |
| US-20130303505-A1 | TGR5 AGONISTS | EXELIXIS PATENT COMPANY LLC | 2013-11-14 | — | — | US | disclosed |
| US-20130303505-A1 | TGR5 AGONISTS | EXELIXIS PATENT COMPANY LLC | 2013-11-14 | — | — | US | disclosed |
| US-20130303505-A1 | TGR5 AGONISTS | EXELIXIS PATENT COMPANY LLC | 2013-11-14 | — | — | US | disclosed |
| EP-2509960-A1 | TGR5 AGONISTS | Exelixis, Inc. (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | WO | disclosed |
| WO-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | 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-20130303505-A1 | TGR5 AGONISTS | GCGR, NPY5R, TBXA2R | ALDH1A1 3462/4885MAPT 3994/4885RORC 1228/4885 |
“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.