Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 3/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | PIK3C2A | O00443 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4194122 | 0.87 | ALDH1A1 (0.35) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL4189608 | 0.82 | KDM4E (0.42) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4189673 | 0.77 | FYN (0.39) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4187254 | 0.64 | MAPT (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4194113 | 0.62 | DYRK1A (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13778328 | 0.61 | NOS1 (0.56) | KDM4ECYP11B1CYP11B2LOXL2HDAC1 | |
| SCHEMBL4197705 | 0.59 | IDO1 (0.44) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10175348 | 0.58 | CYP11B2 (0.48) | KDM4EALDH1A1CYP11B1CYP11B2MEN1 | |
| SCHEMBL10175107 | 0.58 | CYP11B2 (0.47) | CYP11B1CYP11B2 | |
| SCHEMBL509578 | 0.57 | LOXL2 (1.00) | KDM4EALDH1A1CYP1A2CYP2D6CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090105124-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| US-20090105124-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| US-20090105124-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| WO-2009026241-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-02-26 | — | — | WO | disclosed |
| WO-2009026241-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-02-26 | — | — | 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-20090105124-A1 | HETEROCYCLIC MODULATORS OF TGR5 | GPBAR1, GPR119, GRK5 | KDM4E 3848/4885ALDH1A1 2426/4885CYP1A2 2694/4885 |
“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.